data_18433 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18433 _Entry.PDB_ID 2LSJ save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18433 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 24 24 ALA N N 24 123.308 123.308 123.820 -0.512 18433 2 1 1 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.747 -0.203 18433 3 1 1 . 1 1 24 24 ALA CA C 24 50.311 50.311 49.992 0.319 18433 4 1 1 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.761 -1.163 18433 5 1 1 . 1 1 24 24 ALA H H 24 7.820 7.820 7.986 -0.166 18433 6 1 1 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.428 0.210 18433 7 1 1 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.963 0.288 18433 8 1 1 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.036 1.826 18433 9 1 1 . 1 1 26 26 ASN N N 26 120.016 120.016 120.327 -0.311 18433 10 1 1 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.496 -0.269 18433 11 1 1 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.107 0.516 18433 12 1 1 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.434 1.705 18433 13 1 1 . 1 1 26 26 ASN H H 26 9.079 9.079 8.228 0.851 18433 14 1 1 . 1 1 27 27 LEU N N 27 123.375 123.375 123.359 0.016 18433 15 1 1 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.431 -0.194 18433 16 1 1 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.420 -1.117 18433 17 1 1 . 1 1 27 27 LEU CB C 27 42.817 42.817 43.125 -0.308 18433 18 1 1 . 1 1 27 27 LEU H H 27 8.098 8.098 8.697 -0.599 18433 19 1 1 . 1 1 28 28 ALA N N 28 126.889 126.889 129.612 -2.723 18433 20 1 1 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.920 -0.246 18433 21 1 1 . 1 1 28 28 ALA CA C 28 52.381 52.381 53.082 -0.701 18433 22 1 1 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.208 1.721 18433 23 1 1 . 1 1 28 28 ALA H H 28 9.215 9.215 8.773 0.442 18433 24 1 1 . 1 1 29 29 GLY N N 29 102.532 102.532 102.022 0.510 18433 25 1 1 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.665 0.173 18433 26 1 1 . 1 1 29 29 GLY H H 29 7.943 7.943 8.452 -0.509 18433 27 1 1 . 1 1 30 30 ALA N N 30 125.002 125.002 121.784 3.218 18433 28 1 1 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.722 -0.471 18433 29 1 1 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.863 1.285 18433 30 1 1 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.327 -0.893 18433 31 1 1 . 1 1 30 30 ALA H H 30 8.040 8.040 7.604 0.436 18433 32 1 1 . 1 1 31 31 VAL N N 31 119.492 119.492 125.102 -5.610 18433 33 1 1 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.074 0.194 18433 34 1 1 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.879 -1.482 18433 35 1 1 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.807 2.151 18433 36 1 1 . 1 1 31 31 VAL H H 31 8.415 8.415 8.595 -0.180 18433 37 1 1 . 1 1 32 32 GLU N N 32 122.142 122.142 119.146 2.996 18433 38 1 1 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.287 -0.013 18433 39 1 1 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.297 -0.101 18433 40 1 1 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.378 -1.039 18433 41 1 1 . 1 1 32 32 GLU H H 32 8.757 8.757 7.839 0.918 18433 42 1 1 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.211 0.044 18433 43 1 1 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.348 -0.012 18433 44 1 1 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.318 -0.674 18433 45 1 1 . 1 1 34 34 SER N N 34 112.028 112.028 114.097 -2.069 18433 46 1 1 . 1 1 34 34 SER HA H 34 3.652 3.652 3.672 -0.020 18433 47 1 1 . 1 1 34 34 SER CA C 34 61.642 61.642 61.646 -0.004 18433 48 1 1 . 1 1 34 34 SER CB C 34 61.807 61.807 62.315 -0.508 18433 49 1 1 . 1 1 34 34 SER H H 34 8.902 8.902 8.474 0.428 18433 50 1 1 . 1 1 35 35 ASP N N 35 121.321 121.321 119.037 2.284 18433 51 1 1 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.412 0.086 18433 52 1 1 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.393 0.167 18433 53 1 1 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.605 0.622 18433 54 1 1 . 1 1 35 35 ASP H H 35 6.930 6.930 8.167 -1.237 18433 55 1 1 . 1 1 36 36 VAL N N 36 123.532 123.532 119.840 3.692 18433 56 1 1 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.431 -0.183 18433 57 1 1 . 1 1 36 36 VAL CA C 36 67.358 67.358 66.408 0.950 18433 58 1 1 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.448 0.644 18433 59 1 1 . 1 1 36 36 VAL H H 36 8.014 8.014 7.661 0.353 18433 60 1 1 . 1 1 37 37 LYS N N 37 118.036 118.036 117.520 0.516 18433 61 1 1 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.606 -0.139 18433 62 1 1 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.239 1.010 18433 63 1 1 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.574 0.735 18433 64 1 1 . 1 1 37 37 LYS H H 37 8.384 8.384 7.961 0.423 18433 65 1 1 . 1 1 38 38 THR N N 38 115.765 115.765 116.412 -0.647 18433 66 1 1 . 1 1 38 38 THR HA H 38 3.872 3.872 4.108 -0.236 18433 67 1 1 . 1 1 38 38 THR CA C 38 66.652 66.652 66.435 0.217 18433 68 1 1 . 1 1 38 38 THR CB C 38 68.664 68.664 68.618 0.047 18433 69 1 1 . 1 1 38 38 THR H H 38 7.344 7.344 7.321 0.023 18433 70 1 1 . 1 1 39 39 LEU N N 39 123.362 123.362 121.535 1.827 18433 71 1 1 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.342 0.005 18433 72 1 1 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.428 0.829 18433 73 1 1 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.708 1.598 18433 74 1 1 . 1 1 39 39 LEU H H 39 7.701 7.701 7.549 0.152 18433 75 1 1 . 1 1 40 40 LEU N N 40 118.128 118.128 119.892 -1.764 18433 76 1 1 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.163 0.212 18433 77 1 1 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.300 0.011 18433 78 1 1 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.491 1.297 18433 79 1 1 . 1 1 40 40 LEU H H 40 8.434 8.434 7.985 0.449 18433 80 1 1 . 1 1 41 41 LYS N N 41 117.838 117.838 119.293 -1.455 18433 81 1 1 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.833 0.029 18433 82 1 1 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.948 -0.052 18433 83 1 1 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.610 -0.914 18433 84 1 1 . 1 1 41 41 LYS H H 41 8.571 8.571 8.355 0.216 18433 85 1 1 . 1 1 42 42 GLU N N 42 122.248 122.248 117.564 4.684 18433 86 1 1 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.202 -0.311 18433 87 1 1 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.357 1.589 18433 88 1 1 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.261 0.342 18433 89 1 1 . 1 1 42 42 GLU H H 42 8.276 8.276 7.833 0.443 18433 90 1 1 . 1 1 43 43 TRP N N 43 123.115 123.115 121.874 1.241 18433 91 1 1 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.465 -1.440 18433 92 1 1 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.591 -1.786 18433 93 1 1 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.410 -0.758 18433 94 1 1 . 1 1 43 43 TRP H H 43 8.318 8.318 8.024 0.294 18433 95 1 1 . 1 1 44 44 ILE N N 44 112.941 112.941 113.693 -0.752 18433 96 1 1 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.507 -0.968 18433 97 1 1 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.197 1.244 18433 98 1 1 . 1 1 44 44 ILE CB C 44 38.393 38.393 37.926 0.467 18433 99 1 1 . 1 1 44 44 ILE H H 44 7.567 7.567 7.404 0.163 18433 100 1 1 . 1 1 45 45 THR N N 45 106.451 106.451 113.487 -7.036 18433 101 1 1 . 1 1 45 45 THR HA H 45 4.080 4.080 4.289 -0.209 18433 102 1 1 . 1 1 45 45 THR CA C 45 63.681 63.681 64.411 -0.730 18433 103 1 1 . 1 1 45 45 THR CB C 45 70.147 70.147 69.289 0.858 18433 104 1 1 . 1 1 45 45 THR H H 45 7.653 7.653 7.586 0.067 18433 105 1 1 . 1 1 46 46 THR N N 46 110.600 110.600 116.164 -5.564 18433 106 1 1 . 1 1 46 46 THR HA H 46 4.557 4.557 4.236 0.321 18433 107 1 1 . 1 1 46 46 THR CA C 46 62.972 62.972 64.999 -2.027 18433 108 1 1 . 1 1 46 46 THR CB C 46 71.039 71.039 69.417 1.622 18433 109 1 1 . 1 1 46 46 THR H H 46 7.502 7.502 8.154 -0.652 18433 110 1 1 . 1 1 47 47 ILE N N 47 124.370 124.370 120.739 3.631 18433 111 1 1 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.350 0.123 18433 112 1 1 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.791 -2.188 18433 113 1 1 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.924 -4.423 18433 114 1 1 . 1 1 47 47 ILE H H 47 7.533 7.533 7.391 0.142 18433 115 1 1 . 1 1 48 48 SER N N 48 119.846 119.846 120.094 -0.248 18433 116 1 1 . 1 1 48 48 SER HA H 48 4.498 4.498 4.859 -0.361 18433 117 1 1 . 1 1 48 48 SER CA C 48 59.280 59.280 59.091 0.189 18433 118 1 1 . 1 1 48 48 SER CB C 48 63.813 63.813 64.372 -0.559 18433 119 1 1 . 1 1 48 48 SER H H 48 8.423 8.423 8.791 -0.368 18433 120 1 1 . 1 1 49 49 ASP N N 49 119.475 119.475 119.589 -0.114 18433 121 1 1 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.653 0.146 18433 122 1 1 . 1 1 49 49 ASP CA C 49 50.804 50.804 50.595 0.209 18433 123 1 1 . 1 1 49 49 ASP CB C 49 41.481 41.481 40.335 1.146 18433 124 1 1 . 1 1 49 49 ASP H H 49 7.298 7.298 7.798 -0.500 18433 125 1 1 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.397 -0.229 18433 126 1 1 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.630 -0.718 18433 127 1 1 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.011 -0.264 18433 128 1 1 . 1 1 51 51 MET N N 51 121.983 121.983 120.882 1.101 18433 129 1 1 . 1 1 51 51 MET HA H 51 4.492 4.492 4.670 -0.178 18433 130 1 1 . 1 1 51 51 MET CA C 51 55.165 55.165 53.975 1.190 18433 131 1 1 . 1 1 51 51 MET CB C 51 33.974 33.974 34.955 -0.981 18433 132 1 1 . 1 1 51 51 MET H H 51 9.258 9.258 8.166 1.092 18433 133 1 1 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.776 0.056 18433 134 1 1 . 1 1 52 52 GLU CA C 52 60.499 60.499 59.669 0.830 18433 135 1 1 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.632 0.091 18433 136 1 1 . 1 1 53 53 GLU N N 53 116.755 116.755 119.054 -2.299 18433 137 1 1 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.134 -0.069 18433 138 1 1 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.281 0.890 18433 139 1 1 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.702 0.942 18433 140 1 1 . 1 1 53 53 GLU H H 53 9.834 9.834 8.705 1.129 18433 141 1 1 . 1 1 54 54 ASP N N 54 117.972 117.972 119.555 -1.583 18433 142 1 1 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.349 0.649 18433 143 1 1 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.184 0.877 18433 144 1 1 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.580 1.686 18433 145 1 1 . 1 1 54 54 ASP H H 54 7.348 7.348 8.359 -1.011 18433 146 1 1 . 1 1 55 55 ILE N N 55 122.004 122.004 119.938 2.066 18433 147 1 1 . 1 1 55 55 ILE HA H 55 3.935 3.935 4.018 -0.083 18433 148 1 1 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.644 1.887 18433 149 1 1 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.160 -0.021 18433 150 1 1 . 1 1 55 55 ILE H H 55 8.081 8.081 8.151 -0.070 18433 151 1 1 . 1 1 56 56 LEU N N 56 117.547 117.547 120.418 -2.871 18433 152 1 1 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.165 -0.015 18433 153 1 1 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.178 -0.243 18433 154 1 1 . 1 1 56 56 LEU CB C 56 40.977 40.977 41.649 -0.672 18433 155 1 1 . 1 1 56 56 LEU H H 56 8.770 8.770 7.780 0.990 18433 156 1 1 . 1 1 57 57 GLN N N 57 119.917 119.917 117.444 2.473 18433 157 1 1 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.030 0.036 18433 158 1 1 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.888 1.483 18433 159 1 1 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.218 -0.278 18433 160 1 1 . 1 1 57 57 GLN H H 57 7.734 7.734 7.723 0.011 18433 161 1 1 . 1 1 58 58 VAL N N 58 122.347 122.347 118.348 3.999 18433 162 1 1 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.834 -0.219 18433 163 1 1 . 1 1 58 58 VAL CA C 58 67.230 67.230 65.598 1.632 18433 164 1 1 . 1 1 58 58 VAL CB C 58 31.272 31.272 31.397 -0.125 18433 165 1 1 . 1 1 58 58 VAL H H 58 7.727 7.727 7.407 0.320 18433 166 1 1 . 1 1 59 59 VAL N N 59 121.131 121.131 121.422 -0.291 18433 167 1 1 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.635 -0.229 18433 168 1 1 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.851 1.197 18433 169 1 1 . 1 1 59 59 VAL CB C 59 31.542 31.542 31.474 0.068 18433 170 1 1 . 1 1 59 59 VAL H H 59 8.341 8.341 7.801 0.540 18433 171 1 1 . 1 1 60 60 ARG N N 60 120.942 120.942 118.121 2.821 18433 172 1 1 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.144 -0.029 18433 173 1 1 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.186 0.227 18433 174 1 1 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.423 0.318 18433 175 1 1 . 1 1 60 60 ARG H H 60 8.457 8.457 7.846 0.611 18433 176 1 1 . 1 1 61 61 TYR N N 61 120.718 120.718 121.893 -1.175 18433 177 1 1 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.330 0.236 18433 178 1 1 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.452 -0.698 18433 179 1 1 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.482 -0.129 18433 180 1 1 . 1 1 61 61 TYR H H 61 7.833 7.833 7.457 0.376 18433 181 1 1 . 1 1 62 62 CYS N N 62 114.924 114.924 117.590 -2.666 18433 182 1 1 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.797 -0.124 18433 183 1 1 . 1 1 62 62 CYS CA C 62 64.281 64.281 64.596 -0.315 18433 184 1 1 . 1 1 62 62 CYS CB C 62 27.717 27.717 28.293 -0.576 18433 185 1 1 . 1 1 62 62 CYS H H 62 8.079 8.079 8.328 -0.249 18433 186 1 1 . 1 1 63 63 THR N N 63 114.103 114.103 113.589 0.514 18433 187 1 1 . 1 1 63 63 THR HA H 63 3.852 3.852 3.993 -0.141 18433 188 1 1 . 1 1 63 63 THR CA C 63 66.871 66.871 66.048 0.823 18433 189 1 1 . 1 1 63 63 THR CB C 63 67.762 67.762 68.271 -0.509 18433 190 1 1 . 1 1 63 63 THR H H 63 8.721 8.721 8.436 0.285 18433 191 1 1 . 1 1 64 64 ASP N N 64 126.664 126.664 121.355 5.309 18433 192 1 1 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.522 -0.101 18433 193 1 1 . 1 1 64 64 ASP CA C 64 57.784 57.784 57.121 0.663 18433 194 1 1 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.475 -1.234 18433 195 1 1 . 1 1 64 64 ASP H H 64 8.771 8.771 7.452 1.319 18433 196 1 1 . 1 1 65 65 LEU N N 65 119.722 119.722 120.469 -0.747 18433 197 1 1 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.956 -0.084 18433 198 1 1 . 1 1 65 65 LEU CA C 65 58.251 58.251 58.063 0.188 18433 199 1 1 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.585 -0.095 18433 200 1 1 . 1 1 65 65 LEU H H 65 7.850 7.850 7.252 0.598 18433 201 1 1 . 1 1 66 66 ILE N N 66 119.189 119.189 118.107 1.082 18433 202 1 1 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.852 -0.454 18433 203 1 1 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.597 0.601 18433 204 1 1 . 1 1 66 66 ILE CB C 66 37.730 37.730 38.024 -0.294 18433 205 1 1 . 1 1 66 66 ILE H H 66 7.636 7.636 7.415 0.221 18433 206 1 1 . 1 1 67 67 GLU N N 67 123.166 123.166 118.133 5.033 18433 207 1 1 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.037 -0.042 18433 208 1 1 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.653 0.942 18433 209 1 1 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.295 -0.112 18433 210 1 1 . 1 1 67 67 GLU H H 67 8.512 8.512 7.772 0.740 18433 211 1 1 . 1 1 68 68 GLU N N 68 116.524 116.524 116.741 -0.217 18433 212 1 1 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.246 0.049 18433 213 1 1 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.700 -0.922 18433 214 1 1 . 1 1 68 68 GLU CB C 68 29.535 29.535 30.188 -0.652 18433 215 1 1 . 1 1 68 68 GLU H H 68 7.633 7.633 8.195 -0.562 18433 216 1 1 . 1 1 69 69 LYS N N 69 116.625 116.625 114.965 1.660 18433 217 1 1 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.099 -0.454 18433 218 1 1 . 1 1 69 69 LYS CA C 69 57.369 57.369 56.910 0.459 18433 219 1 1 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.476 0.324 18433 220 1 1 . 1 1 69 69 LYS H H 69 8.066 8.066 7.843 0.223 18433 221 1 1 . 1 1 70 70 ASP N N 70 122.727 122.727 118.911 3.816 18433 222 1 1 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.879 0.161 18433 223 1 1 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.269 -1.873 18433 224 1 1 . 1 1 70 70 ASP CB C 70 38.761 38.761 40.778 -2.017 18433 225 1 1 . 1 1 70 70 ASP H H 70 8.483 8.483 8.522 -0.039 18433 226 1 1 . 1 1 71 71 LEU N N 71 119.712 119.712 120.535 -0.823 18433 227 1 1 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.777 0.104 18433 228 1 1 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.766 -1.254 18433 229 1 1 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.078 -0.830 18433 230 1 1 . 1 1 71 71 LEU H H 71 7.515 7.515 8.186 -0.671 18433 231 1 1 . 1 1 72 72 GLU N N 72 121.320 121.320 119.761 1.559 18433 232 1 1 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.859 0.189 18433 233 1 1 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.381 0.125 18433 234 1 1 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.242 0.076 18433 235 1 1 . 1 1 72 72 GLU H H 72 8.561 8.561 8.583 -0.022 18433 236 1 1 . 1 1 73 73 LYS N N 73 119.338 119.338 118.000 1.338 18433 237 1 1 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.836 -0.099 18433 238 1 1 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.208 1.300 18433 239 1 1 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.270 0.099 18433 240 1 1 . 1 1 73 73 LYS H H 73 7.448 7.448 7.634 -0.186 18433 241 1 1 . 1 1 74 74 LEU N N 74 117.830 117.830 123.894 -6.064 18433 242 1 1 . 1 1 74 74 LEU HA H 74 3.880 3.880 3.981 -0.101 18433 243 1 1 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.752 -0.810 18433 244 1 1 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.784 -0.288 18433 245 1 1 . 1 1 74 74 LEU H H 74 7.516 7.516 7.416 0.100 18433 246 1 1 . 1 1 75 75 ASP N N 75 117.736 117.736 118.616 -0.880 18433 247 1 1 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.406 -0.164 18433 248 1 1 . 1 1 75 75 ASP CA C 75 57.852 57.852 57.383 0.469 18433 249 1 1 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.603 1.720 18433 250 1 1 . 1 1 75 75 ASP H H 75 7.828 7.828 7.879 -0.051 18433 251 1 1 . 1 1 76 76 LEU N N 76 116.254 116.254 119.969 -3.715 18433 252 1 1 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.189 -0.279 18433 253 1 1 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.612 0.345 18433 254 1 1 . 1 1 76 76 LEU CB C 76 41.827 41.827 42.048 -0.221 18433 255 1 1 . 1 1 76 76 LEU H H 76 7.454 7.454 7.273 0.181 18433 256 1 1 . 1 1 77 77 VAL N N 77 120.653 120.653 119.484 1.169 18433 257 1 1 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.851 0.113 18433 258 1 1 . 1 1 77 77 VAL CA C 77 66.879 66.879 66.665 0.214 18433 259 1 1 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.736 0.283 18433 260 1 1 . 1 1 77 77 VAL H H 77 8.626 8.626 8.453 0.173 18433 261 1 1 . 1 1 78 78 ILE N N 78 122.189 122.189 120.605 1.584 18433 262 1 1 . 1 1 78 78 ILE HA H 78 3.986 3.986 4.008 -0.022 18433 263 1 1 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.822 -0.982 18433 264 1 1 . 1 1 78 78 ILE CB C 78 35.672 35.672 36.798 -1.126 18433 265 1 1 . 1 1 78 78 ILE H H 78 8.755 8.755 9.036 -0.281 18433 266 1 1 . 1 1 79 79 LYS N N 79 119.030 119.030 119.877 -0.847 18433 267 1 1 . 1 1 79 79 LYS HA H 79 3.881 3.881 3.974 -0.093 18433 268 1 1 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.968 1.470 18433 269 1 1 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.512 1.110 18433 270 1 1 . 1 1 79 79 LYS H H 79 8.413 8.413 7.810 0.603 18433 271 1 1 . 1 1 80 80 TYR N N 80 121.226 121.226 121.757 -0.531 18433 272 1 1 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.148 0.160 18433 273 1 1 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.573 0.431 18433 274 1 1 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.013 -0.002 18433 275 1 1 . 1 1 80 80 TYR H H 80 8.205 8.205 7.853 0.352 18433 276 1 1 . 1 1 81 81 MET N N 81 116.428 116.428 116.632 -0.204 18433 277 1 1 . 1 1 81 81 MET HA H 81 3.711 3.711 4.052 -0.341 18433 278 1 1 . 1 1 81 81 MET CA C 81 60.733 60.733 59.117 1.616 18433 279 1 1 . 1 1 81 81 MET CB C 81 33.894 33.894 32.560 1.333 18433 280 1 1 . 1 1 81 81 MET H H 81 8.578 8.578 8.856 -0.278 18433 281 1 1 . 1 1 82 82 LYS N N 82 119.778 119.778 120.843 -1.065 18433 282 1 1 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.454 -0.761 18433 283 1 1 . 1 1 82 82 LYS CA C 82 59.983 59.983 59.971 0.012 18433 284 1 1 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.975 0.816 18433 285 1 1 . 1 1 82 82 LYS H H 82 8.594 8.594 8.153 0.441 18433 286 1 1 . 1 1 83 83 ARG N N 83 116.474 116.474 118.223 -1.749 18433 287 1 1 . 1 1 83 83 ARG HA H 83 3.854 3.854 3.946 -0.092 18433 288 1 1 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.873 -0.392 18433 289 1 1 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.328 0.274 18433 290 1 1 . 1 1 83 83 ARG H H 83 7.145 7.145 7.634 -0.489 18433 291 1 1 . 1 1 84 84 LEU N N 84 116.576 116.576 120.787 -4.211 18433 292 1 1 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.930 -0.102 18433 293 1 1 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.121 -0.187 18433 294 1 1 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.883 1.156 18433 295 1 1 . 1 1 84 84 LEU H H 84 7.284 7.284 7.061 0.223 18433 296 1 1 . 1 1 85 85 MET N N 85 115.841 115.841 116.032 -0.191 18433 297 1 1 . 1 1 85 85 MET HA H 85 3.756 3.756 3.731 0.025 18433 298 1 1 . 1 1 85 85 MET CA C 85 59.260 59.260 58.315 0.945 18433 299 1 1 . 1 1 85 85 MET CB C 85 32.487 32.487 32.534 -0.047 18433 300 1 1 . 1 1 85 85 MET H H 85 8.683 8.683 8.161 0.522 18433 301 1 1 . 1 1 86 86 GLN N N 86 114.640 114.640 115.141 -0.501 18433 302 1 1 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.135 0.226 18433 303 1 1 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.948 -1.091 18433 304 1 1 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.255 -1.625 18433 305 1 1 . 1 1 86 86 GLN H H 86 7.513 7.513 8.143 -0.630 18433 306 1 1 . 1 1 87 87 GLN N N 87 117.352 117.352 116.790 0.562 18433 307 1 1 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.183 0.039 18433 308 1 1 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.551 -0.217 18433 309 1 1 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.803 0.336 18433 310 1 1 . 1 1 87 87 GLN H H 87 7.277 7.277 7.540 -0.263 18433 311 1 1 . 1 1 88 88 SER N N 88 113.778 113.778 117.009 -3.231 18433 312 1 1 . 1 1 88 88 SER HA H 88 4.431 4.431 4.229 0.202 18433 313 1 1 . 1 1 88 88 SER CA C 88 58.372 58.372 59.666 -1.294 18433 314 1 1 . 1 1 88 88 SER CB C 88 63.525 63.525 63.809 -0.284 18433 315 1 1 . 1 1 88 88 SER H H 88 7.482 7.482 7.763 -0.281 18433 316 1 1 . 1 1 89 89 VAL N N 89 120.934 120.934 120.868 0.066 18433 317 1 1 . 1 1 89 89 VAL HA H 89 4.163 4.163 3.986 0.177 18433 318 1 1 . 1 1 89 89 VAL CA C 89 62.661 62.661 64.210 -1.549 18433 319 1 1 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.529 -0.557 18433 320 1 1 . 1 1 89 89 VAL H H 89 8.188 8.188 8.462 -0.274 18433 321 1 1 . 1 1 90 90 GLU N N 90 120.714 120.714 119.116 1.598 18433 322 1 1 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.451 -0.010 18433 323 1 1 . 1 1 90 90 GLU CA C 90 55.945 55.945 55.918 0.027 18433 324 1 1 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.711 -0.104 18433 325 1 1 . 1 1 90 90 GLU H H 90 8.411 8.411 8.044 0.367 18433 326 1 1 . 1 1 91 91 SER HA H 91 4.451 4.451 4.330 0.121 18433 327 1 1 . 1 1 91 91 SER CA C 91 59.681 59.681 60.812 -1.131 18433 328 1 1 . 1 1 91 91 SER CB C 91 63.893 63.893 63.281 0.613 18433 329 1 1 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.759 0.253 18433 330 1 1 . 1 1 92 92 VAL CA C 92 64.738 64.738 64.755 -0.017 18433 331 1 1 . 1 1 92 92 VAL CB C 92 31.013 31.013 30.288 0.725 18433 332 1 1 . 1 1 93 93 TRP N N 93 121.614 121.614 120.611 1.003 18433 333 1 1 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.301 0.198 18433 334 1 1 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.856 -1.181 18433 335 1 1 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.227 0.630 18433 336 1 1 . 1 1 93 93 TRP H H 93 7.551 7.551 7.410 0.141 18433 337 1 1 . 1 1 94 94 ASN N N 94 119.013 119.013 117.119 1.894 18433 338 1 1 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.418 -0.023 18433 339 1 1 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.864 0.374 18433 340 1 1 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.522 0.225 18433 341 1 1 . 1 1 94 94 ASN H H 94 7.794 7.794 8.154 -0.360 18433 342 1 1 . 1 1 95 95 MET N N 95 117.158 117.158 118.255 -1.097 18433 343 1 1 . 1 1 95 95 MET HA H 95 4.346 4.346 4.356 -0.010 18433 344 1 1 . 1 1 95 95 MET CA C 95 58.445 58.445 58.567 -0.122 18433 345 1 1 . 1 1 95 95 MET CB C 95 32.436 32.436 32.479 -0.043 18433 346 1 1 . 1 1 95 95 MET H H 95 7.751 7.751 7.519 0.232 18433 347 1 1 . 1 1 96 96 ALA N N 96 123.406 123.406 123.063 0.343 18433 348 1 1 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.134 0.073 18433 349 1 1 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.269 0.176 18433 350 1 1 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.107 -0.602 18433 351 1 1 . 1 1 96 96 ALA H H 96 7.920 7.920 7.700 0.220 18433 352 1 1 . 1 1 97 97 PHE N N 97 117.830 117.830 119.260 -1.430 18433 353 1 1 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.315 -0.111 18433 354 1 1 . 1 1 97 97 PHE CA C 97 62.853 62.853 61.060 1.793 18433 355 1 1 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.077 -0.930 18433 356 1 1 . 1 1 97 97 PHE H H 97 8.431 8.431 8.172 0.259 18433 357 1 1 . 1 1 98 98 ASP N N 98 118.570 118.570 119.787 -1.217 18433 358 1 1 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.104 0.144 18433 359 1 1 . 1 1 98 98 ASP CA C 98 57.702 57.702 57.905 -0.203 18433 360 1 1 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.872 -0.472 18433 361 1 1 . 1 1 98 98 ASP H H 98 7.805 7.805 7.851 -0.046 18433 362 1 1 . 1 1 99 99 PHE N N 99 119.874 119.874 120.715 -0.841 18433 363 1 1 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.163 0.131 18433 364 1 1 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.589 -0.406 18433 365 1 1 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.307 0.174 18433 366 1 1 . 1 1 99 99 PHE H H 99 7.920 7.920 8.130 -0.210 18433 367 1 1 . 1 1 100 100 ILE N N 100 122.589 122.589 119.297 3.292 18433 368 1 1 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.467 -0.064 18433 369 1 1 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.460 0.636 18433 370 1 1 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.989 0.703 18433 371 1 1 . 1 1 100 100 ILE H H 100 8.573 8.573 7.887 0.686 18433 372 1 1 . 1 1 101 101 LEU N N 101 119.531 119.531 120.578 -1.047 18433 373 1 1 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.773 -0.059 18433 374 1 1 . 1 1 101 101 LEU CA C 101 57.998 57.998 57.928 0.070 18433 375 1 1 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.307 -0.600 18433 376 1 1 . 1 1 101 101 LEU H H 101 8.716 8.716 7.592 1.124 18433 377 1 1 . 1 1 102 102 ASP N N 102 118.371 118.371 119.141 -0.770 18433 378 1 1 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.334 -0.083 18433 379 1 1 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.922 0.571 18433 380 1 1 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.682 0.097 18433 381 1 1 . 1 1 102 102 ASP H H 102 8.343 8.343 8.406 -0.063 18433 382 1 1 . 1 1 103 103 ASN N N 103 115.409 115.409 116.050 -0.641 18433 383 1 1 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.628 -0.495 18433 384 1 1 . 1 1 103 103 ASN CA C 103 57.079 57.079 55.246 1.833 18433 385 1 1 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.033 -0.043 18433 386 1 1 . 1 1 103 103 ASN H H 103 7.393 7.393 7.282 0.111 18433 387 1 1 . 1 1 104 104 VAL N N 104 119.972 119.972 122.486 -2.514 18433 388 1 1 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.602 -0.185 18433 389 1 1 . 1 1 104 104 VAL CA C 104 66.949 66.949 67.345 -0.396 18433 390 1 1 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.914 -0.092 18433 391 1 1 . 1 1 104 104 VAL H H 104 8.299 8.299 8.588 -0.289 18433 392 1 1 . 1 1 105 105 GLN N N 105 118.449 118.449 117.921 0.528 18433 393 1 1 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.957 0.437 18433 394 1 1 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.842 0.178 18433 395 1 1 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.941 0.649 18433 396 1 1 . 1 1 105 105 GLN H H 105 8.763 8.763 8.072 0.691 18433 397 1 1 . 1 1 106 106 VAL N N 106 118.643 118.643 119.832 -1.189 18433 398 1 1 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.691 0.023 18433 399 1 1 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.351 0.057 18433 400 1 1 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.836 -0.139 18433 401 1 1 . 1 1 106 106 VAL H H 106 7.607 7.607 7.562 0.045 18433 402 1 1 . 1 1 107 107 VAL N N 107 120.205 120.205 119.526 0.679 18433 403 1 1 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.683 0.046 18433 404 1 1 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.735 0.638 18433 405 1 1 . 1 1 107 107 VAL CB C 107 31.318 31.318 32.050 -0.732 18433 406 1 1 . 1 1 107 107 VAL H H 107 7.329 7.329 7.335 -0.006 18433 407 1 1 . 1 1 108 108 LEU N N 108 123.706 123.706 118.786 4.920 18433 408 1 1 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.245 -0.222 18433 409 1 1 . 1 1 108 108 LEU CA C 108 58.902 58.902 57.884 1.018 18433 410 1 1 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.723 0.252 18433 411 1 1 . 1 1 108 108 LEU H H 108 8.742 8.742 8.313 0.429 18433 412 1 1 . 1 1 109 109 GLN N N 109 119.622 119.622 119.031 0.591 18433 413 1 1 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.136 -0.155 18433 414 1 1 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.834 0.232 18433 415 1 1 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.765 -0.497 18433 416 1 1 . 1 1 109 109 GLN H H 109 8.456 8.456 7.821 0.635 18433 417 1 1 . 1 1 110 110 GLN N N 110 117.492 117.492 117.493 -0.001 18433 418 1 1 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.073 0.001 18433 419 1 1 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.193 -0.117 18433 420 1 1 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.578 0.114 18433 421 1 1 . 1 1 110 110 GLN H H 110 8.060 8.060 7.896 0.164 18433 422 1 1 . 1 1 111 111 THR N N 111 112.944 112.944 114.131 -1.187 18433 423 1 1 . 1 1 111 111 THR HA H 111 4.017 4.017 4.047 -0.030 18433 424 1 1 . 1 1 111 111 THR CA C 111 65.020 65.020 64.755 0.265 18433 425 1 1 . 1 1 111 111 THR CB C 111 69.543 69.543 69.380 0.163 18433 426 1 1 . 1 1 111 111 THR H H 111 7.934 7.934 7.479 0.455 18433 427 1 1 . 1 1 112 112 TYR N N 112 118.273 118.273 117.595 0.678 18433 428 1 1 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.515 0.182 18433 429 1 1 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.257 0.163 18433 430 1 1 . 1 1 112 112 TYR CB C 112 40.341 40.341 40.354 -0.013 18433 431 1 1 . 1 1 112 112 TYR H H 112 8.404 8.404 8.048 0.356 18433 432 1 1 . 1 1 113 113 GLY N N 113 109.593 109.593 105.294 4.299 18433 433 1 1 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.188 0.821 18433 434 1 1 . 1 1 113 113 GLY H H 113 7.990 7.990 7.891 0.099 18433 435 1 1 . 1 1 114 114 SER N N 114 113.965 113.965 116.102 -2.137 18433 436 1 1 . 1 1 114 114 SER HA H 114 4.630 4.630 4.667 -0.037 18433 437 1 1 . 1 1 114 114 SER CA C 114 57.356 57.356 57.742 -0.386 18433 438 1 1 . 1 1 114 114 SER CB C 114 64.543 64.543 64.216 0.327 18433 439 1 1 . 1 1 114 114 SER H H 114 7.636 7.636 7.972 -0.336 18433 440 1 1 . 1 1 115 115 THR N N 115 110.456 110.456 110.458 -0.002 18433 441 1 1 . 1 1 115 115 THR HA H 115 4.406 4.406 4.591 -0.185 18433 442 1 1 . 1 1 115 115 THR CA C 115 61.125 61.125 60.886 0.239 18433 443 1 1 . 1 1 115 115 THR CB C 115 70.288 70.288 70.826 -0.538 18433 444 1 1 . 1 1 115 115 THR H H 115 7.828 7.828 7.932 -0.104 18433 445 1 1 . 1 1 116 116 LEU N N 116 123.832 123.832 121.480 2.352 18433 446 1 1 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.510 -0.204 18433 447 1 1 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.209 0.674 18433 448 1 1 . 1 1 116 116 LEU CB C 116 42.795 42.795 43.890 -1.095 18433 449 1 1 . 1 1 116 116 LEU H H 116 8.741 8.741 8.401 0.340 18433 450 1 1 . 1 1 117 117 LYS N N 117 124.713 124.713 124.753 -0.040 18433 451 1 1 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.414 -0.001 18433 452 1 1 . 1 1 117 117 LYS CA C 117 55.551 55.551 55.831 -0.280 18433 453 1 1 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.782 0.769 18433 454 1 1 . 1 1 117 117 LYS H H 117 8.479 8.479 8.513 -0.034 18433 455 1 1 . 1 1 118 118 VAL N N 118 122.419 122.419 122.461 -0.042 18433 456 1 1 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.580 -0.338 18433 457 1 1 . 1 1 118 118 VAL CA C 118 61.955 61.955 60.445 1.510 18433 458 1 1 . 1 1 118 118 VAL CB C 118 32.837 32.837 32.102 0.735 18433 459 1 1 . 1 1 118 118 VAL H H 118 8.268 8.268 8.440 -0.172 18433 460 1 2 . 1 1 24 24 ALA N N 24 123.308 123.308 122.799 0.509 18433 461 1 2 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.791 -0.247 18433 462 1 2 . 1 1 24 24 ALA CA C 24 50.311 50.311 49.949 0.362 18433 463 1 2 . 1 1 24 24 ALA CB C 24 18.597 18.597 20.107 -1.510 18433 464 1 2 . 1 1 24 24 ALA H H 24 7.820 7.820 7.971 -0.151 18433 465 1 2 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.412 0.226 18433 466 1 2 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.965 0.286 18433 467 1 2 . 1 1 25 25 PRO CB C 25 31.862 31.862 29.762 2.100 18433 468 1 2 . 1 1 26 26 ASN N N 26 120.016 120.016 120.576 -0.560 18433 469 1 2 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.559 -0.332 18433 470 1 2 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.167 0.456 18433 471 1 2 . 1 1 26 26 ASN CB C 26 44.139 44.139 41.971 2.168 18433 472 1 2 . 1 1 26 26 ASN H H 26 9.079 9.079 8.206 0.873 18433 473 1 2 . 1 1 27 27 LEU N N 27 123.375 123.375 124.009 -0.634 18433 474 1 2 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.512 -0.275 18433 475 1 2 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.229 -0.926 18433 476 1 2 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.985 -0.168 18433 477 1 2 . 1 1 27 27 LEU H H 27 8.098 8.098 8.614 -0.516 18433 478 1 2 . 1 1 28 28 ALA N N 28 126.889 126.889 129.653 -2.764 18433 479 1 2 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.922 -0.248 18433 480 1 2 . 1 1 28 28 ALA CA C 28 52.381 52.381 53.210 -0.829 18433 481 1 2 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.327 1.602 18433 482 1 2 . 1 1 28 28 ALA H H 28 9.215 9.215 8.993 0.222 18433 483 1 2 . 1 1 29 29 GLY N N 29 102.532 102.532 102.237 0.295 18433 484 1 2 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.663 0.174 18433 485 1 2 . 1 1 29 29 GLY H H 29 7.943 7.943 8.427 -0.484 18433 486 1 2 . 1 1 30 30 ALA N N 30 125.002 125.002 121.948 3.054 18433 487 1 2 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.729 -0.478 18433 488 1 2 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.826 1.322 18433 489 1 2 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.367 -0.933 18433 490 1 2 . 1 1 30 30 ALA H H 30 8.040 8.040 7.629 0.411 18433 491 1 2 . 1 1 31 31 VAL N N 31 119.492 119.492 124.472 -4.980 18433 492 1 2 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.125 0.143 18433 493 1 2 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.303 -0.906 18433 494 1 2 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.680 2.278 18433 495 1 2 . 1 1 31 31 VAL H H 31 8.415 8.415 8.659 -0.244 18433 496 1 2 . 1 1 32 32 GLU N N 32 122.142 122.142 119.024 3.118 18433 497 1 2 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.376 -0.102 18433 498 1 2 . 1 1 32 32 GLU CA C 32 56.196 56.196 55.747 0.449 18433 499 1 2 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.459 -1.120 18433 500 1 2 . 1 1 32 32 GLU H H 32 8.757 8.757 7.887 0.870 18433 501 1 2 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.222 0.033 18433 502 1 2 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.524 -0.188 18433 503 1 2 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.285 -0.641 18433 504 1 2 . 1 1 34 34 SER N N 34 112.028 112.028 113.330 -1.302 18433 505 1 2 . 1 1 34 34 SER HA H 34 3.652 3.652 3.806 -0.154 18433 506 1 2 . 1 1 34 34 SER CA C 34 61.642 61.642 61.365 0.277 18433 507 1 2 . 1 1 34 34 SER CB C 34 61.807 61.807 61.763 0.044 18433 508 1 2 . 1 1 34 34 SER H H 34 8.902 8.902 8.565 0.337 18433 509 1 2 . 1 1 35 35 ASP N N 35 121.321 121.321 121.441 -0.120 18433 510 1 2 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.486 0.012 18433 511 1 2 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.491 0.069 18433 512 1 2 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.256 0.971 18433 513 1 2 . 1 1 35 35 ASP H H 35 6.930 6.930 8.114 -1.184 18433 514 1 2 . 1 1 36 36 VAL N N 36 123.532 123.532 120.120 3.412 18433 515 1 2 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.441 -0.193 18433 516 1 2 . 1 1 36 36 VAL CA C 36 67.358 67.358 66.421 0.937 18433 517 1 2 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.418 0.674 18433 518 1 2 . 1 1 36 36 VAL H H 36 8.014 8.014 7.728 0.286 18433 519 1 2 . 1 1 37 37 LYS N N 37 118.036 118.036 117.513 0.523 18433 520 1 2 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.576 -0.109 18433 521 1 2 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.280 0.969 18433 522 1 2 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.514 0.795 18433 523 1 2 . 1 1 37 37 LYS H H 37 8.384 8.384 7.848 0.536 18433 524 1 2 . 1 1 38 38 THR N N 38 115.765 115.765 117.302 -1.537 18433 525 1 2 . 1 1 38 38 THR HA H 38 3.872 3.872 4.033 -0.161 18433 526 1 2 . 1 1 38 38 THR CA C 38 66.652 66.652 66.421 0.231 18433 527 1 2 . 1 1 38 38 THR CB C 38 68.664 68.664 68.752 -0.088 18433 528 1 2 . 1 1 38 38 THR H H 38 7.344 7.344 7.221 0.123 18433 529 1 2 . 1 1 39 39 LEU N N 39 123.362 123.362 121.363 1.999 18433 530 1 2 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.300 0.047 18433 531 1 2 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.828 0.429 18433 532 1 2 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.517 1.789 18433 533 1 2 . 1 1 39 39 LEU H H 39 7.701 7.701 7.405 0.296 18433 534 1 2 . 1 1 40 40 LEU N N 40 118.128 118.128 119.883 -1.755 18433 535 1 2 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.135 0.240 18433 536 1 2 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.212 0.099 18433 537 1 2 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.396 1.392 18433 538 1 2 . 1 1 40 40 LEU H H 40 8.434 8.434 7.773 0.661 18433 539 1 2 . 1 1 41 41 LYS N N 41 117.838 117.838 119.159 -1.321 18433 540 1 2 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.854 0.008 18433 541 1 2 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.815 0.081 18433 542 1 2 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.623 -0.927 18433 543 1 2 . 1 1 41 41 LYS H H 41 8.571 8.571 8.323 0.248 18433 544 1 2 . 1 1 42 42 GLU N N 42 122.248 122.248 116.947 5.301 18433 545 1 2 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.231 -0.340 18433 546 1 2 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.206 1.740 18433 547 1 2 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.473 0.130 18433 548 1 2 . 1 1 42 42 GLU H H 42 8.276 8.276 7.868 0.408 18433 549 1 2 . 1 1 43 43 TRP N N 43 123.115 123.115 122.829 0.286 18433 550 1 2 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.495 -1.470 18433 551 1 2 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.388 -1.583 18433 552 1 2 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.608 -0.956 18433 553 1 2 . 1 1 43 43 TRP H H 43 8.318 8.318 8.198 0.120 18433 554 1 2 . 1 1 44 44 ILE N N 44 112.941 112.941 116.072 -3.131 18433 555 1 2 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.507 -0.968 18433 556 1 2 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.410 1.031 18433 557 1 2 . 1 1 44 44 ILE CB C 44 38.393 38.393 38.405 -0.012 18433 558 1 2 . 1 1 44 44 ILE H H 44 7.567 7.567 7.564 0.003 18433 559 1 2 . 1 1 45 45 THR N N 45 106.451 106.451 113.380 -6.929 18433 560 1 2 . 1 1 45 45 THR HA H 45 4.080 4.080 4.252 -0.172 18433 561 1 2 . 1 1 45 45 THR CA C 45 63.681 63.681 64.953 -1.272 18433 562 1 2 . 1 1 45 45 THR CB C 45 70.147 70.147 69.609 0.538 18433 563 1 2 . 1 1 45 45 THR H H 45 7.653 7.653 7.538 0.115 18433 564 1 2 . 1 1 46 46 THR N N 46 110.600 110.600 117.242 -6.642 18433 565 1 2 . 1 1 46 46 THR HA H 46 4.557 4.557 4.212 0.345 18433 566 1 2 . 1 1 46 46 THR CA C 46 62.972 62.972 65.359 -2.387 18433 567 1 2 . 1 1 46 46 THR CB C 46 71.039 71.039 69.225 1.814 18433 568 1 2 . 1 1 46 46 THR H H 46 7.502 7.502 8.211 -0.709 18433 569 1 2 . 1 1 47 47 ILE N N 47 124.370 124.370 121.034 3.336 18433 570 1 2 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.302 0.171 18433 571 1 2 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.669 -2.066 18433 572 1 2 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.499 -3.998 18433 573 1 2 . 1 1 47 47 ILE H H 47 7.533 7.533 7.380 0.153 18433 574 1 2 . 1 1 48 48 SER N N 48 119.846 119.846 121.084 -1.238 18433 575 1 2 . 1 1 48 48 SER HA H 48 4.498 4.498 4.769 -0.271 18433 576 1 2 . 1 1 48 48 SER CA C 48 59.280 59.280 59.743 -0.463 18433 577 1 2 . 1 1 48 48 SER CB C 48 63.813 63.813 64.458 -0.645 18433 578 1 2 . 1 1 48 48 SER H H 48 8.423 8.423 8.609 -0.186 18433 579 1 2 . 1 1 49 49 ASP N N 49 119.475 119.475 120.180 -0.705 18433 580 1 2 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.693 0.106 18433 581 1 2 . 1 1 49 49 ASP CA C 49 50.804 50.804 51.193 -0.389 18433 582 1 2 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.193 0.288 18433 583 1 2 . 1 1 49 49 ASP H H 49 7.298 7.298 7.909 -0.611 18433 584 1 2 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.527 -0.359 18433 585 1 2 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.586 -0.674 18433 586 1 2 . 1 1 50 50 PRO CB C 50 31.747 31.747 33.018 -1.271 18433 587 1 2 . 1 1 51 51 MET N N 51 121.983 121.983 119.426 2.557 18433 588 1 2 . 1 1 51 51 MET HA H 51 4.492 4.492 4.713 -0.221 18433 589 1 2 . 1 1 51 51 MET CA C 51 55.165 55.165 54.095 1.070 18433 590 1 2 . 1 1 51 51 MET CB C 51 33.974 33.974 35.780 -1.806 18433 591 1 2 . 1 1 51 51 MET H H 51 9.258 9.258 8.426 0.832 18433 592 1 2 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.721 0.111 18433 593 1 2 . 1 1 52 52 GLU CA C 52 60.499 60.499 59.993 0.506 18433 594 1 2 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.613 0.110 18433 595 1 2 . 1 1 53 53 GLU N N 53 116.755 116.755 119.387 -2.632 18433 596 1 2 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.144 -0.079 18433 597 1 2 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.443 0.728 18433 598 1 2 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.838 0.806 18433 599 1 2 . 1 1 53 53 GLU H H 53 9.834 9.834 8.575 1.259 18433 600 1 2 . 1 1 54 54 ASP N N 54 117.972 117.972 118.485 -0.513 18433 601 1 2 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.286 0.712 18433 602 1 2 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.252 0.809 18433 603 1 2 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.502 1.764 18433 604 1 2 . 1 1 54 54 ASP H H 54 7.348 7.348 8.347 -0.999 18433 605 1 2 . 1 1 55 55 ILE N N 55 122.004 122.004 119.751 2.253 18433 606 1 2 . 1 1 55 55 ILE HA H 55 3.935 3.935 3.935 -0.000 18433 607 1 2 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.669 1.862 18433 608 1 2 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.042 0.097 18433 609 1 2 . 1 1 55 55 ILE H H 55 8.081 8.081 8.136 -0.055 18433 610 1 2 . 1 1 56 56 LEU N N 56 117.547 117.547 120.415 -2.868 18433 611 1 2 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.120 0.030 18433 612 1 2 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.054 -0.119 18433 613 1 2 . 1 1 56 56 LEU CB C 56 40.977 40.977 41.611 -0.634 18433 614 1 2 . 1 1 56 56 LEU H H 56 8.770 8.770 7.733 1.037 18433 615 1 2 . 1 1 57 57 GLN N N 57 119.917 119.917 116.925 2.992 18433 616 1 2 . 1 1 57 57 GLN HA H 57 4.066 4.066 3.939 0.127 18433 617 1 2 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.857 1.514 18433 618 1 2 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.490 -0.550 18433 619 1 2 . 1 1 57 57 GLN H H 57 7.734 7.734 7.830 -0.096 18433 620 1 2 . 1 1 58 58 VAL N N 58 122.347 122.347 118.149 4.198 18433 621 1 2 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.820 -0.205 18433 622 1 2 . 1 1 58 58 VAL CA C 58 67.230 67.230 65.600 1.630 18433 623 1 2 . 1 1 58 58 VAL CB C 58 31.272 31.272 31.341 -0.069 18433 624 1 2 . 1 1 58 58 VAL H H 58 7.727 7.727 7.402 0.325 18433 625 1 2 . 1 1 59 59 VAL N N 59 121.131 121.131 121.291 -0.160 18433 626 1 2 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.761 -0.355 18433 627 1 2 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.296 1.752 18433 628 1 2 . 1 1 59 59 VAL CB C 59 31.542 31.542 30.876 0.666 18433 629 1 2 . 1 1 59 59 VAL H H 59 8.341 8.341 7.871 0.470 18433 630 1 2 . 1 1 60 60 ARG N N 60 120.942 120.942 118.771 2.171 18433 631 1 2 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.186 -0.071 18433 632 1 2 . 1 1 60 60 ARG CA C 60 58.413 58.413 57.951 0.462 18433 633 1 2 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.270 0.471 18433 634 1 2 . 1 1 60 60 ARG H H 60 8.457 8.457 7.911 0.546 18433 635 1 2 . 1 1 61 61 TYR N N 61 120.718 120.718 121.563 -0.845 18433 636 1 2 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.278 0.288 18433 637 1 2 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.665 -0.911 18433 638 1 2 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.472 -0.119 18433 639 1 2 . 1 1 61 61 TYR H H 61 7.833 7.833 7.502 0.332 18433 640 1 2 . 1 1 62 62 CYS N N 62 114.924 114.924 117.342 -2.418 18433 641 1 2 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.999 -0.326 18433 642 1 2 . 1 1 62 62 CYS CA C 62 64.281 64.281 64.409 -0.128 18433 643 1 2 . 1 1 62 62 CYS CB C 62 27.717 27.717 28.363 -0.647 18433 644 1 2 . 1 1 62 62 CYS H H 62 8.079 8.079 8.434 -0.355 18433 645 1 2 . 1 1 63 63 THR N N 63 114.103 114.103 113.527 0.576 18433 646 1 2 . 1 1 63 63 THR HA H 63 3.852 3.852 4.050 -0.198 18433 647 1 2 . 1 1 63 63 THR CA C 63 66.871 66.871 65.448 1.423 18433 648 1 2 . 1 1 63 63 THR CB C 63 67.762 67.762 67.662 0.100 18433 649 1 2 . 1 1 63 63 THR H H 63 8.721 8.721 8.489 0.232 18433 650 1 2 . 1 1 64 64 ASP N N 64 126.664 126.664 121.959 4.705 18433 651 1 2 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.544 -0.123 18433 652 1 2 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.805 0.979 18433 653 1 2 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.374 -1.133 18433 654 1 2 . 1 1 64 64 ASP H H 64 8.771 8.771 7.519 1.252 18433 655 1 2 . 1 1 65 65 LEU N N 65 119.722 119.722 120.911 -1.189 18433 656 1 2 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.935 -0.063 18433 657 1 2 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.930 0.321 18433 658 1 2 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.569 -0.078 18433 659 1 2 . 1 1 65 65 LEU H H 65 7.850 7.850 7.388 0.462 18433 660 1 2 . 1 1 66 66 ILE N N 66 119.189 119.189 119.522 -0.333 18433 661 1 2 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.908 -0.510 18433 662 1 2 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.933 0.265 18433 663 1 2 . 1 1 66 66 ILE CB C 66 37.730 37.730 37.759 -0.029 18433 664 1 2 . 1 1 66 66 ILE H H 66 7.636 7.636 7.470 0.166 18433 665 1 2 . 1 1 67 67 GLU N N 67 123.166 123.166 119.083 4.083 18433 666 1 2 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.125 -0.130 18433 667 1 2 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.519 1.076 18433 668 1 2 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.026 0.157 18433 669 1 2 . 1 1 67 67 GLU H H 67 8.512 8.512 7.825 0.686 18433 670 1 2 . 1 1 68 68 GLU N N 68 116.524 116.524 116.775 -0.251 18433 671 1 2 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.334 -0.039 18433 672 1 2 . 1 1 68 68 GLU CA C 68 55.778 55.778 55.717 0.061 18433 673 1 2 . 1 1 68 68 GLU CB C 68 29.535 29.535 29.505 0.031 18433 674 1 2 . 1 1 68 68 GLU H H 68 7.633 7.633 8.082 -0.449 18433 675 1 2 . 1 1 69 69 LYS N N 69 116.625 116.625 115.454 1.171 18433 676 1 2 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.130 -0.485 18433 677 1 2 . 1 1 69 69 LYS CA C 69 57.369 57.369 57.120 0.249 18433 678 1 2 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.552 0.248 18433 679 1 2 . 1 1 69 69 LYS H H 69 8.066 8.066 7.677 0.389 18433 680 1 2 . 1 1 70 70 ASP N N 70 122.727 122.727 119.029 3.698 18433 681 1 2 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.881 0.159 18433 682 1 2 . 1 1 70 70 ASP CA C 70 51.396 51.396 52.941 -1.544 18433 683 1 2 . 1 1 70 70 ASP CB C 70 38.761 38.761 41.014 -2.253 18433 684 1 2 . 1 1 70 70 ASP H H 70 8.483 8.483 8.390 0.093 18433 685 1 2 . 1 1 71 71 LEU N N 71 119.712 119.712 120.434 -0.722 18433 686 1 2 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.801 0.080 18433 687 1 2 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.603 -1.091 18433 688 1 2 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.166 -0.919 18433 689 1 2 . 1 1 71 71 LEU H H 71 7.515 7.515 8.221 -0.706 18433 690 1 2 . 1 1 72 72 GLU N N 72 121.320 121.320 119.658 1.662 18433 691 1 2 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.867 0.181 18433 692 1 2 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.449 0.057 18433 693 1 2 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.291 0.028 18433 694 1 2 . 1 1 72 72 GLU H H 72 8.561 8.561 8.569 -0.008 18433 695 1 2 . 1 1 73 73 LYS N N 73 119.338 119.338 117.904 1.434 18433 696 1 2 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.917 -0.180 18433 697 1 2 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.359 1.149 18433 698 1 2 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.359 0.010 18433 699 1 2 . 1 1 73 73 LYS H H 73 7.448 7.448 7.723 -0.275 18433 700 1 2 . 1 1 74 74 LEU N N 74 117.830 117.830 123.838 -6.008 18433 701 1 2 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.020 -0.140 18433 702 1 2 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.719 -0.777 18433 703 1 2 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.729 -0.233 18433 704 1 2 . 1 1 74 74 LEU H H 74 7.516 7.516 7.431 0.085 18433 705 1 2 . 1 1 75 75 ASP N N 75 117.736 117.736 118.620 -0.884 18433 706 1 2 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.413 -0.171 18433 707 1 2 . 1 1 75 75 ASP CA C 75 57.852 57.852 57.420 0.432 18433 708 1 2 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.612 1.711 18433 709 1 2 . 1 1 75 75 ASP H H 75 7.828 7.828 7.879 -0.051 18433 710 1 2 . 1 1 76 76 LEU N N 76 116.254 116.254 119.848 -3.594 18433 711 1 2 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.201 -0.291 18433 712 1 2 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.760 0.197 18433 713 1 2 . 1 1 76 76 LEU CB C 76 41.827 41.827 42.077 -0.250 18433 714 1 2 . 1 1 76 76 LEU H H 76 7.454 7.454 7.325 0.129 18433 715 1 2 . 1 1 77 77 VAL N N 77 120.653 120.653 119.198 1.455 18433 716 1 2 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.888 0.076 18433 717 1 2 . 1 1 77 77 VAL CA C 77 66.879 66.879 66.051 0.828 18433 718 1 2 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.021 0.998 18433 719 1 2 . 1 1 77 77 VAL H H 77 8.626 8.626 8.641 -0.015 18433 720 1 2 . 1 1 78 78 ILE N N 78 122.189 122.189 120.748 1.441 18433 721 1 2 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.986 0.000 18433 722 1 2 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.732 -0.892 18433 723 1 2 . 1 1 78 78 ILE CB C 78 35.672 35.672 36.882 -1.210 18433 724 1 2 . 1 1 78 78 ILE H H 78 8.755 8.755 8.921 -0.166 18433 725 1 2 . 1 1 79 79 LYS N N 79 119.030 119.030 120.108 -1.078 18433 726 1 2 . 1 1 79 79 LYS HA H 79 3.881 3.881 3.977 -0.096 18433 727 1 2 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.953 1.485 18433 728 1 2 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.555 1.067 18433 729 1 2 . 1 1 79 79 LYS H H 79 8.413 8.413 7.855 0.558 18433 730 1 2 . 1 1 80 80 TYR N N 80 121.226 121.226 121.676 -0.450 18433 731 1 2 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.139 0.169 18433 732 1 2 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.590 0.414 18433 733 1 2 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.004 0.007 18433 734 1 2 . 1 1 80 80 TYR H H 80 8.205 8.205 7.913 0.292 18433 735 1 2 . 1 1 81 81 MET N N 81 116.428 116.428 116.670 -0.242 18433 736 1 2 . 1 1 81 81 MET HA H 81 3.711 3.711 4.014 -0.303 18433 737 1 2 . 1 1 81 81 MET CA C 81 60.733 60.733 59.096 1.637 18433 738 1 2 . 1 1 81 81 MET CB C 81 33.894 33.894 32.498 1.397 18433 739 1 2 . 1 1 81 81 MET H H 81 8.578 8.578 8.710 -0.132 18433 740 1 2 . 1 1 82 82 LYS N N 82 119.778 119.778 120.857 -1.079 18433 741 1 2 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.457 -0.764 18433 742 1 2 . 1 1 82 82 LYS CA C 82 59.983 59.983 59.665 0.318 18433 743 1 2 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.877 0.914 18433 744 1 2 . 1 1 82 82 LYS H H 82 8.594 8.594 8.159 0.435 18433 745 1 2 . 1 1 83 83 ARG N N 83 116.474 116.474 118.187 -1.713 18433 746 1 2 . 1 1 83 83 ARG HA H 83 3.854 3.854 3.949 -0.095 18433 747 1 2 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.839 -0.358 18433 748 1 2 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.309 0.293 18433 749 1 2 . 1 1 83 83 ARG H H 83 7.145 7.145 7.595 -0.450 18433 750 1 2 . 1 1 84 84 LEU N N 84 116.576 116.576 120.814 -4.238 18433 751 1 2 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.926 -0.098 18433 752 1 2 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.046 -0.112 18433 753 1 2 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.914 1.125 18433 754 1 2 . 1 1 84 84 LEU H H 84 7.284 7.284 7.052 0.232 18433 755 1 2 . 1 1 85 85 MET N N 85 115.841 115.841 115.407 0.434 18433 756 1 2 . 1 1 85 85 MET HA H 85 3.756 3.756 3.680 0.076 18433 757 1 2 . 1 1 85 85 MET CA C 85 59.260 59.260 58.382 0.878 18433 758 1 2 . 1 1 85 85 MET CB C 85 32.487 32.487 32.499 -0.012 18433 759 1 2 . 1 1 85 85 MET H H 85 8.683 8.683 8.075 0.608 18433 760 1 2 . 1 1 86 86 GLN N N 86 114.640 114.640 114.726 -0.086 18433 761 1 2 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.146 0.215 18433 762 1 2 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.636 -0.779 18433 763 1 2 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.440 -1.810 18433 764 1 2 . 1 1 86 86 GLN H H 86 7.513 7.513 8.051 -0.538 18433 765 1 2 . 1 1 87 87 GLN N N 87 117.352 117.352 116.829 0.523 18433 766 1 2 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.187 0.035 18433 767 1 2 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.333 0.001 18433 768 1 2 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.947 0.192 18433 769 1 2 . 1 1 87 87 GLN H H 87 7.277 7.277 7.557 -0.280 18433 770 1 2 . 1 1 88 88 SER N N 88 113.778 113.778 114.715 -0.937 18433 771 1 2 . 1 1 88 88 SER HA H 88 4.431 4.431 4.230 0.201 18433 772 1 2 . 1 1 88 88 SER CA C 88 58.372 58.372 58.277 0.095 18433 773 1 2 . 1 1 88 88 SER CB C 88 63.525 63.525 63.936 -0.411 18433 774 1 2 . 1 1 88 88 SER H H 88 7.482 7.482 7.440 0.042 18433 775 1 2 . 1 1 89 89 VAL N N 89 120.934 120.934 118.665 2.269 18433 776 1 2 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.195 -0.032 18433 777 1 2 . 1 1 89 89 VAL CA C 89 62.661 62.661 62.650 0.011 18433 778 1 2 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.693 -0.721 18433 779 1 2 . 1 1 89 89 VAL H H 89 8.188 8.188 8.621 -0.433 18433 780 1 2 . 1 1 90 90 GLU N N 90 120.714 120.714 120.742 -0.028 18433 781 1 2 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.487 -0.046 18433 782 1 2 . 1 1 90 90 GLU CA C 90 55.945 55.945 55.678 0.267 18433 783 1 2 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.421 0.186 18433 784 1 2 . 1 1 90 90 GLU H H 90 8.411 8.411 8.211 0.200 18433 785 1 2 . 1 1 91 91 SER HA H 91 4.451 4.451 4.156 0.295 18433 786 1 2 . 1 1 91 91 SER CA C 91 59.681 59.681 60.869 -1.188 18433 787 1 2 . 1 1 91 91 SER CB C 91 63.893 63.893 63.176 0.717 18433 788 1 2 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.827 0.185 18433 789 1 2 . 1 1 92 92 VAL CA C 92 64.738 64.738 63.511 1.227 18433 790 1 2 . 1 1 92 92 VAL CB C 92 31.013 31.013 30.393 0.620 18433 791 1 2 . 1 1 93 93 TRP N N 93 121.614 121.614 120.330 1.284 18433 792 1 2 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.239 0.260 18433 793 1 2 . 1 1 93 93 TRP CA C 93 59.676 59.676 61.031 -1.355 18433 794 1 2 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.145 0.712 18433 795 1 2 . 1 1 93 93 TRP H H 93 7.551 7.551 7.641 -0.090 18433 796 1 2 . 1 1 94 94 ASN N N 94 119.013 119.013 116.452 2.561 18433 797 1 2 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.447 -0.052 18433 798 1 2 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.465 0.773 18433 799 1 2 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.565 0.182 18433 800 1 2 . 1 1 94 94 ASN H H 94 7.794 7.794 7.886 -0.092 18433 801 1 2 . 1 1 95 95 MET N N 95 117.158 117.158 118.769 -1.611 18433 802 1 2 . 1 1 95 95 MET HA H 95 4.346 4.346 4.360 -0.014 18433 803 1 2 . 1 1 95 95 MET CA C 95 58.445 58.445 58.645 -0.200 18433 804 1 2 . 1 1 95 95 MET CB C 95 32.436 32.436 32.602 -0.166 18433 805 1 2 . 1 1 95 95 MET H H 95 7.751 7.751 7.616 0.135 18433 806 1 2 . 1 1 96 96 ALA N N 96 123.406 123.406 123.075 0.331 18433 807 1 2 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.142 0.065 18433 808 1 2 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.300 0.145 18433 809 1 2 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.110 -0.605 18433 810 1 2 . 1 1 96 96 ALA H H 96 7.920 7.920 7.771 0.149 18433 811 1 2 . 1 1 97 97 PHE N N 97 117.830 117.830 119.248 -1.418 18433 812 1 2 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.275 -0.071 18433 813 1 2 . 1 1 97 97 PHE CA C 97 62.853 62.853 61.425 1.428 18433 814 1 2 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.024 -0.877 18433 815 1 2 . 1 1 97 97 PHE H H 97 8.431 8.431 8.117 0.314 18433 816 1 2 . 1 1 98 98 ASP N N 98 118.570 118.570 119.219 -0.649 18433 817 1 2 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.140 0.108 18433 818 1 2 . 1 1 98 98 ASP CA C 98 57.702 57.702 57.458 0.244 18433 819 1 2 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.537 -0.137 18433 820 1 2 . 1 1 98 98 ASP H H 98 7.805 7.805 7.966 -0.161 18433 821 1 2 . 1 1 99 99 PHE N N 99 119.874 119.874 120.648 -0.774 18433 822 1 2 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.141 0.153 18433 823 1 2 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.757 -0.574 18433 824 1 2 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.250 0.232 18433 825 1 2 . 1 1 99 99 PHE H H 99 7.920 7.920 8.070 -0.150 18433 826 1 2 . 1 1 100 100 ILE N N 100 122.589 122.589 119.282 3.307 18433 827 1 2 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.492 -0.089 18433 828 1 2 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.513 0.584 18433 829 1 2 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.968 0.724 18433 830 1 2 . 1 1 100 100 ILE H H 100 8.573 8.573 7.996 0.577 18433 831 1 2 . 1 1 101 101 LEU N N 101 119.531 119.531 120.446 -0.915 18433 832 1 2 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.803 -0.089 18433 833 1 2 . 1 1 101 101 LEU CA C 101 57.998 57.998 57.928 0.070 18433 834 1 2 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.288 -0.582 18433 835 1 2 . 1 1 101 101 LEU H H 101 8.716 8.716 7.626 1.090 18433 836 1 2 . 1 1 102 102 ASP N N 102 118.371 118.371 118.864 -0.493 18433 837 1 2 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.346 -0.095 18433 838 1 2 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.606 0.887 18433 839 1 2 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.519 0.260 18433 840 1 2 . 1 1 102 102 ASP H H 102 8.343 8.343 8.192 0.151 18433 841 1 2 . 1 1 103 103 ASN N N 103 115.409 115.409 116.017 -0.608 18433 842 1 2 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.607 -0.474 18433 843 1 2 . 1 1 103 103 ASN CA C 103 57.079 57.079 55.098 1.981 18433 844 1 2 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.152 -0.162 18433 845 1 2 . 1 1 103 103 ASN H H 103 7.393 7.393 7.243 0.150 18433 846 1 2 . 1 1 104 104 VAL N N 104 119.972 119.972 122.186 -2.214 18433 847 1 2 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.690 -0.273 18433 848 1 2 . 1 1 104 104 VAL CA C 104 66.949 66.949 67.078 -0.129 18433 849 1 2 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.830 -0.008 18433 850 1 2 . 1 1 104 104 VAL H H 104 8.299 8.299 8.493 -0.195 18433 851 1 2 . 1 1 105 105 GLN N N 105 118.449 118.449 118.079 0.370 18433 852 1 2 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.960 0.434 18433 853 1 2 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.877 0.143 18433 854 1 2 . 1 1 105 105 GLN CB C 105 28.590 28.590 28.029 0.561 18433 855 1 2 . 1 1 105 105 GLN H H 105 8.763 8.763 8.084 0.679 18433 856 1 2 . 1 1 106 106 VAL N N 106 118.643 118.643 119.843 -1.200 18433 857 1 2 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.761 -0.047 18433 858 1 2 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.014 0.394 18433 859 1 2 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.393 0.304 18433 860 1 2 . 1 1 106 106 VAL H H 106 7.607 7.607 7.621 -0.014 18433 861 1 2 . 1 1 107 107 VAL N N 107 120.205 120.205 119.858 0.347 18433 862 1 2 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.772 -0.043 18433 863 1 2 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.384 0.989 18433 864 1 2 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.808 -0.490 18433 865 1 2 . 1 1 107 107 VAL H H 107 7.329 7.329 7.363 -0.034 18433 866 1 2 . 1 1 108 108 LEU N N 108 123.706 123.706 118.889 4.817 18433 867 1 2 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.250 -0.227 18433 868 1 2 . 1 1 108 108 LEU CA C 108 58.902 58.902 58.041 0.861 18433 869 1 2 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.604 0.371 18433 870 1 2 . 1 1 108 108 LEU H H 108 8.742 8.742 8.363 0.379 18433 871 1 2 . 1 1 109 109 GLN N N 109 119.622 119.622 118.982 0.640 18433 872 1 2 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.140 -0.159 18433 873 1 2 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.826 0.240 18433 874 1 2 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.751 -0.484 18433 875 1 2 . 1 1 109 109 GLN H H 109 8.456 8.456 7.830 0.626 18433 876 1 2 . 1 1 110 110 GLN N N 110 117.492 117.492 117.291 0.201 18433 877 1 2 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.080 -0.006 18433 878 1 2 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.172 -0.096 18433 879 1 2 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.594 0.098 18433 880 1 2 . 1 1 110 110 GLN H H 110 8.060 8.060 7.920 0.140 18433 881 1 2 . 1 1 111 111 THR N N 111 112.944 112.944 114.238 -1.294 18433 882 1 2 . 1 1 111 111 THR HA H 111 4.017 4.017 4.037 -0.020 18433 883 1 2 . 1 1 111 111 THR CA C 111 65.020 65.020 64.764 0.255 18433 884 1 2 . 1 1 111 111 THR CB C 111 69.543 69.543 69.504 0.039 18433 885 1 2 . 1 1 111 111 THR H H 111 7.934 7.934 7.403 0.531 18433 886 1 2 . 1 1 112 112 TYR N N 112 118.273 118.273 117.805 0.468 18433 887 1 2 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.590 0.107 18433 888 1 2 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.860 -0.440 18433 889 1 2 . 1 1 112 112 TYR CB C 112 40.341 40.341 39.501 0.840 18433 890 1 2 . 1 1 112 112 TYR H H 112 8.404 8.404 8.283 0.121 18433 891 1 2 . 1 1 113 113 GLY N N 113 109.593 109.593 105.346 4.247 18433 892 1 2 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.211 0.798 18433 893 1 2 . 1 1 113 113 GLY H H 113 7.990 7.990 7.914 0.076 18433 894 1 2 . 1 1 114 114 SER N N 114 113.965 113.965 115.869 -1.904 18433 895 1 2 . 1 1 114 114 SER HA H 114 4.630 4.630 4.665 -0.035 18433 896 1 2 . 1 1 114 114 SER CA C 114 57.356 57.356 57.614 -0.258 18433 897 1 2 . 1 1 114 114 SER CB C 114 64.543 64.543 64.283 0.260 18433 898 1 2 . 1 1 114 114 SER H H 114 7.636 7.636 7.910 -0.274 18433 899 1 2 . 1 1 115 115 THR N N 115 110.456 110.456 108.924 1.532 18433 900 1 2 . 1 1 115 115 THR HA H 115 4.406 4.406 4.596 -0.190 18433 901 1 2 . 1 1 115 115 THR CA C 115 61.125 61.125 60.478 0.646 18433 902 1 2 . 1 1 115 115 THR CB C 115 70.288 70.288 71.103 -0.815 18433 903 1 2 . 1 1 115 115 THR H H 115 7.828 7.828 7.863 -0.035 18433 904 1 2 . 1 1 116 116 LEU N N 116 123.832 123.832 121.976 1.856 18433 905 1 2 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.526 -0.220 18433 906 1 2 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.462 0.422 18433 907 1 2 . 1 1 116 116 LEU CB C 116 42.795 42.795 44.175 -1.380 18433 908 1 2 . 1 1 116 116 LEU H H 116 8.741 8.741 8.448 0.292 18433 909 1 2 . 1 1 117 117 LYS N N 117 124.713 124.713 125.792 -1.079 18433 910 1 2 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.317 0.096 18433 911 1 2 . 1 1 117 117 LYS CA C 117 55.551 55.551 56.160 -0.609 18433 912 1 2 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.100 1.451 18433 913 1 2 . 1 1 117 117 LYS H H 117 8.479 8.479 8.611 -0.132 18433 914 1 2 . 1 1 118 118 VAL N N 118 122.419 122.419 123.504 -1.085 18433 915 1 2 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.674 -0.432 18433 916 1 2 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.427 0.528 18433 917 1 2 . 1 1 118 118 VAL CB C 118 32.837 32.837 32.257 0.580 18433 918 1 2 . 1 1 118 118 VAL H H 118 8.268 8.268 8.252 0.016 18433 919 1 3 . 1 1 24 24 ALA N N 24 123.308 123.308 123.023 0.285 18433 920 1 3 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.858 -0.314 18433 921 1 3 . 1 1 24 24 ALA CA C 24 50.311 50.311 49.396 0.915 18433 922 1 3 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.917 -1.320 18433 923 1 3 . 1 1 24 24 ALA H H 24 7.820 7.820 8.106 -0.286 18433 924 1 3 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.430 0.208 18433 925 1 3 . 1 1 25 25 PRO CA C 25 63.251 63.251 63.097 0.154 18433 926 1 3 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.231 1.631 18433 927 1 3 . 1 1 26 26 ASN N N 26 120.016 120.016 120.938 -0.922 18433 928 1 3 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.488 -0.261 18433 929 1 3 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.161 0.462 18433 930 1 3 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.242 1.897 18433 931 1 3 . 1 1 26 26 ASN H H 26 9.079 9.079 8.177 0.902 18433 932 1 3 . 1 1 27 27 LEU N N 27 123.375 123.375 124.096 -0.721 18433 933 1 3 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.495 -0.258 18433 934 1 3 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.001 -0.698 18433 935 1 3 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.782 0.035 18433 936 1 3 . 1 1 27 27 LEU H H 27 8.098 8.098 8.546 -0.448 18433 937 1 3 . 1 1 28 28 ALA N N 28 126.889 126.889 128.353 -1.464 18433 938 1 3 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.995 -0.321 18433 939 1 3 . 1 1 28 28 ALA CA C 28 52.381 52.381 52.805 -0.424 18433 940 1 3 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.424 1.505 18433 941 1 3 . 1 1 28 28 ALA H H 28 9.215 9.215 8.992 0.223 18433 942 1 3 . 1 1 29 29 GLY N N 29 102.532 102.532 101.683 0.849 18433 943 1 3 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.718 0.120 18433 944 1 3 . 1 1 29 29 GLY H H 29 7.943 7.943 8.315 -0.372 18433 945 1 3 . 1 1 30 30 ALA N N 30 125.002 125.002 122.229 2.773 18433 946 1 3 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.721 -0.470 18433 947 1 3 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.556 1.592 18433 948 1 3 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.333 -0.899 18433 949 1 3 . 1 1 30 30 ALA H H 30 8.040 8.040 7.633 0.407 18433 950 1 3 . 1 1 31 31 VAL N N 31 119.492 119.492 124.316 -4.824 18433 951 1 3 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.205 0.063 18433 952 1 3 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.264 -0.868 18433 953 1 3 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.437 2.521 18433 954 1 3 . 1 1 31 31 VAL H H 31 8.415 8.415 8.618 -0.203 18433 955 1 3 . 1 1 32 32 GLU N N 32 122.142 122.142 118.802 3.340 18433 956 1 3 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.425 -0.151 18433 957 1 3 . 1 1 32 32 GLU CA C 32 56.196 56.196 55.763 0.433 18433 958 1 3 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.758 -1.419 18433 959 1 3 . 1 1 32 32 GLU H H 32 8.757 8.757 7.899 0.858 18433 960 1 3 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.178 0.077 18433 961 1 3 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.679 -0.343 18433 962 1 3 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.298 -0.654 18433 963 1 3 . 1 1 34 34 SER N N 34 112.028 112.028 113.801 -1.773 18433 964 1 3 . 1 1 34 34 SER HA H 34 3.652 3.652 3.746 -0.094 18433 965 1 3 . 1 1 34 34 SER CA C 34 61.642 61.642 61.527 0.115 18433 966 1 3 . 1 1 34 34 SER CB C 34 61.807 61.807 62.255 -0.448 18433 967 1 3 . 1 1 34 34 SER H H 34 8.902 8.902 8.310 0.592 18433 968 1 3 . 1 1 35 35 ASP N N 35 121.321 121.321 119.358 1.963 18433 969 1 3 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.434 0.064 18433 970 1 3 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.300 0.260 18433 971 1 3 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.462 0.765 18433 972 1 3 . 1 1 35 35 ASP H H 35 6.930 6.930 8.143 -1.213 18433 973 1 3 . 1 1 36 36 VAL N N 36 123.532 123.532 119.951 3.581 18433 974 1 3 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.421 -0.173 18433 975 1 3 . 1 1 36 36 VAL CA C 36 67.358 67.358 66.442 0.916 18433 976 1 3 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.471 0.621 18433 977 1 3 . 1 1 36 36 VAL H H 36 8.014 8.014 7.746 0.268 18433 978 1 3 . 1 1 37 37 LYS N N 37 118.036 118.036 117.504 0.532 18433 979 1 3 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.593 -0.126 18433 980 1 3 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.233 1.016 18433 981 1 3 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.585 0.724 18433 982 1 3 . 1 1 37 37 LYS H H 37 8.384 8.384 7.913 0.471 18433 983 1 3 . 1 1 38 38 THR N N 38 115.765 115.765 117.076 -1.311 18433 984 1 3 . 1 1 38 38 THR HA H 38 3.872 3.872 4.071 -0.199 18433 985 1 3 . 1 1 38 38 THR CA C 38 66.652 66.652 66.607 0.045 18433 986 1 3 . 1 1 38 38 THR CB C 38 68.664 68.664 68.591 0.073 18433 987 1 3 . 1 1 38 38 THR H H 38 7.344 7.344 7.256 0.088 18433 988 1 3 . 1 1 39 39 LEU N N 39 123.362 123.362 121.174 2.188 18433 989 1 3 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.265 0.082 18433 990 1 3 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.807 0.450 18433 991 1 3 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.552 1.754 18433 992 1 3 . 1 1 39 39 LEU H H 39 7.701 7.701 7.415 0.286 18433 993 1 3 . 1 1 40 40 LEU N N 40 118.128 118.128 119.892 -1.764 18433 994 1 3 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.150 0.225 18433 995 1 3 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.233 0.078 18433 996 1 3 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.451 1.337 18433 997 1 3 . 1 1 40 40 LEU H H 40 8.434 8.434 7.747 0.687 18433 998 1 3 . 1 1 41 41 LYS N N 41 117.838 117.838 119.214 -1.376 18433 999 1 3 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.846 0.016 18433 1000 1 3 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.795 0.100 18433 1001 1 3 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.626 -0.930 18433 1002 1 3 . 1 1 41 41 LYS H H 41 8.571 8.571 8.387 0.184 18433 1003 1 3 . 1 1 42 42 GLU N N 42 122.248 122.248 116.787 5.461 18433 1004 1 3 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.222 -0.331 18433 1005 1 3 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.325 1.621 18433 1006 1 3 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.432 0.171 18433 1007 1 3 . 1 1 42 42 GLU H H 42 8.276 8.276 7.932 0.344 18433 1008 1 3 . 1 1 43 43 TRP N N 43 123.115 123.115 122.802 0.313 18433 1009 1 3 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.544 -1.519 18433 1010 1 3 . 1 1 43 43 TRP CA C 43 58.805 58.805 59.995 -1.190 18433 1011 1 3 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.738 -1.086 18433 1012 1 3 . 1 1 43 43 TRP H H 43 8.318 8.318 8.072 0.246 18433 1013 1 3 . 1 1 44 44 ILE N N 44 112.941 112.941 115.762 -2.821 18433 1014 1 3 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.492 -0.953 18433 1015 1 3 . 1 1 44 44 ILE CA C 44 62.441 62.441 60.566 1.875 18433 1016 1 3 . 1 1 44 44 ILE CB C 44 38.393 38.393 37.257 1.136 18433 1017 1 3 . 1 1 44 44 ILE H H 44 7.567 7.567 7.478 0.089 18433 1018 1 3 . 1 1 45 45 THR N N 45 106.451 106.451 110.215 -3.764 18433 1019 1 3 . 1 1 45 45 THR HA H 45 4.080 4.080 4.437 -0.357 18433 1020 1 3 . 1 1 45 45 THR CA C 45 63.681 63.681 62.984 0.696 18433 1021 1 3 . 1 1 45 45 THR CB C 45 70.147 70.147 69.995 0.152 18433 1022 1 3 . 1 1 45 45 THR H H 45 7.653 7.653 7.426 0.227 18433 1023 1 3 . 1 1 46 46 THR N N 46 110.600 110.600 117.000 -6.400 18433 1024 1 3 . 1 1 46 46 THR HA H 46 4.557 4.557 4.255 0.302 18433 1025 1 3 . 1 1 46 46 THR CA C 46 62.972 62.972 65.167 -2.195 18433 1026 1 3 . 1 1 46 46 THR CB C 46 71.039 71.039 69.316 1.723 18433 1027 1 3 . 1 1 46 46 THR H H 46 7.502 7.502 8.050 -0.548 18433 1028 1 3 . 1 1 47 47 ILE N N 47 124.370 124.370 120.086 4.284 18433 1029 1 3 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.409 0.064 18433 1030 1 3 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.794 -2.191 18433 1031 1 3 . 1 1 47 47 ILE CB C 47 36.501 36.501 41.334 -4.832 18433 1032 1 3 . 1 1 47 47 ILE H H 47 7.533 7.533 7.555 -0.022 18433 1033 1 3 . 1 1 48 48 SER N N 48 119.846 119.846 120.726 -0.880 18433 1034 1 3 . 1 1 48 48 SER HA H 48 4.498 4.498 4.771 -0.273 18433 1035 1 3 . 1 1 48 48 SER CA C 48 59.280 59.280 59.130 0.150 18433 1036 1 3 . 1 1 48 48 SER CB C 48 63.813 63.813 64.179 -0.366 18433 1037 1 3 . 1 1 48 48 SER H H 48 8.423 8.423 8.736 -0.313 18433 1038 1 3 . 1 1 49 49 ASP N N 49 119.475 119.475 119.968 -0.493 18433 1039 1 3 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.664 0.135 18433 1040 1 3 . 1 1 49 49 ASP CA C 49 50.804 50.804 51.006 -0.202 18433 1041 1 3 . 1 1 49 49 ASP CB C 49 41.481 41.481 40.997 0.484 18433 1042 1 3 . 1 1 49 49 ASP H H 49 7.298 7.298 7.924 -0.626 18433 1043 1 3 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.556 -0.388 18433 1044 1 3 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.647 -0.735 18433 1045 1 3 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.327 -0.580 18433 1046 1 3 . 1 1 51 51 MET N N 51 121.983 121.983 122.686 -0.703 18433 1047 1 3 . 1 1 51 51 MET HA H 51 4.492 4.492 4.551 -0.059 18433 1048 1 3 . 1 1 51 51 MET CA C 51 55.165 55.165 54.761 0.404 18433 1049 1 3 . 1 1 51 51 MET CB C 51 33.974 33.974 34.677 -0.703 18433 1050 1 3 . 1 1 51 51 MET H H 51 9.258 9.258 8.600 0.658 18433 1051 1 3 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.765 0.067 18433 1052 1 3 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.741 -0.242 18433 1053 1 3 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.355 0.368 18433 1054 1 3 . 1 1 53 53 GLU N N 53 116.755 116.755 118.040 -1.285 18433 1055 1 3 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.060 0.005 18433 1056 1 3 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.380 0.791 18433 1057 1 3 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.835 0.809 18433 1058 1 3 . 1 1 53 53 GLU H H 53 9.834 9.834 8.774 1.060 18433 1059 1 3 . 1 1 54 54 ASP N N 54 117.972 117.972 118.295 -0.323 18433 1060 1 3 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.370 0.628 18433 1061 1 3 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.203 0.858 18433 1062 1 3 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.966 1.300 18433 1063 1 3 . 1 1 54 54 ASP H H 54 7.348 7.348 7.470 -0.122 18433 1064 1 3 . 1 1 55 55 ILE N N 55 122.004 122.004 121.045 0.959 18433 1065 1 3 . 1 1 55 55 ILE HA H 55 3.935 3.935 3.991 -0.056 18433 1066 1 3 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.942 1.589 18433 1067 1 3 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.318 -0.179 18433 1068 1 3 . 1 1 55 55 ILE H H 55 8.081 8.081 7.903 0.178 18433 1069 1 3 . 1 1 56 56 LEU N N 56 117.547 117.547 120.415 -2.868 18433 1070 1 3 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.119 0.031 18433 1071 1 3 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.276 -0.341 18433 1072 1 3 . 1 1 56 56 LEU CB C 56 40.977 40.977 40.287 0.690 18433 1073 1 3 . 1 1 56 56 LEU H H 56 8.770 8.770 8.828 -0.058 18433 1074 1 3 . 1 1 57 57 GLN N N 57 119.917 119.917 116.868 3.049 18433 1075 1 3 . 1 1 57 57 GLN HA H 57 4.066 4.066 3.977 0.089 18433 1076 1 3 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.911 1.460 18433 1077 1 3 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.501 -0.561 18433 1078 1 3 . 1 1 57 57 GLN H H 57 7.734 7.734 7.719 0.015 18433 1079 1 3 . 1 1 58 58 VAL N N 58 122.347 122.347 118.380 3.967 18433 1080 1 3 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.852 -0.237 18433 1081 1 3 . 1 1 58 58 VAL CA C 58 67.230 67.230 65.681 1.548 18433 1082 1 3 . 1 1 58 58 VAL CB C 58 31.272 31.272 31.523 -0.252 18433 1083 1 3 . 1 1 58 58 VAL H H 58 7.727 7.727 8.097 -0.370 18433 1084 1 3 . 1 1 59 59 VAL N N 59 121.131 121.131 121.500 -0.369 18433 1085 1 3 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.653 -0.247 18433 1086 1 3 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.836 1.212 18433 1087 1 3 . 1 1 59 59 VAL CB C 59 31.542 31.542 31.497 0.045 18433 1088 1 3 . 1 1 59 59 VAL H H 59 8.341 8.341 7.705 0.636 18433 1089 1 3 . 1 1 60 60 ARG N N 60 120.942 120.942 118.252 2.690 18433 1090 1 3 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.140 -0.025 18433 1091 1 3 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.477 -0.064 18433 1092 1 3 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.518 0.223 18433 1093 1 3 . 1 1 60 60 ARG H H 60 8.457 8.457 8.042 0.415 18433 1094 1 3 . 1 1 61 61 TYR N N 61 120.718 120.718 121.736 -1.018 18433 1095 1 3 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.296 0.270 18433 1096 1 3 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.603 -0.849 18433 1097 1 3 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.524 -0.171 18433 1098 1 3 . 1 1 61 61 TYR H H 61 7.833 7.833 7.454 0.379 18433 1099 1 3 . 1 1 62 62 CYS N N 62 114.924 114.924 117.483 -2.559 18433 1100 1 3 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.857 -0.184 18433 1101 1 3 . 1 1 62 62 CYS CA C 62 64.281 64.281 64.629 -0.348 18433 1102 1 3 . 1 1 62 62 CYS CB C 62 27.717 27.717 28.425 -0.708 18433 1103 1 3 . 1 1 62 62 CYS H H 62 8.079 8.079 8.293 -0.214 18433 1104 1 3 . 1 1 63 63 THR N N 63 114.103 114.103 113.599 0.504 18433 1105 1 3 . 1 1 63 63 THR HA H 63 3.852 3.852 4.016 -0.164 18433 1106 1 3 . 1 1 63 63 THR CA C 63 66.871 66.871 65.961 0.910 18433 1107 1 3 . 1 1 63 63 THR CB C 63 67.762 67.762 68.280 -0.518 18433 1108 1 3 . 1 1 63 63 THR H H 63 8.721 8.721 8.462 0.259 18433 1109 1 3 . 1 1 64 64 ASP N N 64 126.664 126.664 120.790 5.874 18433 1110 1 3 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.526 -0.105 18433 1111 1 3 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.977 0.807 18433 1112 1 3 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.437 -1.196 18433 1113 1 3 . 1 1 64 64 ASP H H 64 8.771 8.771 7.382 1.389 18433 1114 1 3 . 1 1 65 65 LEU N N 65 119.722 119.722 120.944 -1.222 18433 1115 1 3 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.931 -0.059 18433 1116 1 3 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.950 0.301 18433 1117 1 3 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.625 -0.135 18433 1118 1 3 . 1 1 65 65 LEU H H 65 7.850 7.850 7.257 0.593 18433 1119 1 3 . 1 1 66 66 ILE N N 66 119.189 119.189 119.504 -0.315 18433 1120 1 3 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.801 -0.403 18433 1121 1 3 . 1 1 66 66 ILE CA C 66 66.198 66.198 66.218 -0.020 18433 1122 1 3 . 1 1 66 66 ILE CB C 66 37.730 37.730 37.870 -0.140 18433 1123 1 3 . 1 1 66 66 ILE H H 66 7.636 7.636 7.494 0.142 18433 1124 1 3 . 1 1 67 67 GLU N N 67 123.166 123.166 118.273 4.893 18433 1125 1 3 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.035 -0.040 18433 1126 1 3 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.912 0.683 18433 1127 1 3 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.131 0.052 18433 1128 1 3 . 1 1 67 67 GLU H H 67 8.512 8.512 7.871 0.641 18433 1129 1 3 . 1 1 68 68 GLU N N 68 116.524 116.524 116.819 -0.295 18433 1130 1 3 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.297 -0.002 18433 1131 1 3 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.440 -0.662 18433 1132 1 3 . 1 1 68 68 GLU CB C 68 29.535 29.535 30.216 -0.681 18433 1133 1 3 . 1 1 68 68 GLU H H 68 7.633 7.633 8.054 -0.421 18433 1134 1 3 . 1 1 69 69 LYS N N 69 116.625 116.625 115.343 1.282 18433 1135 1 3 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.133 -0.488 18433 1136 1 3 . 1 1 69 69 LYS CA C 69 57.369 57.369 57.010 0.359 18433 1137 1 3 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.466 0.334 18433 1138 1 3 . 1 1 69 69 LYS H H 69 8.066 8.066 7.709 0.357 18433 1139 1 3 . 1 1 70 70 ASP N N 70 122.727 122.727 118.382 4.345 18433 1140 1 3 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.868 0.172 18433 1141 1 3 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.656 -2.260 18433 1142 1 3 . 1 1 70 70 ASP CB C 70 38.761 38.761 41.111 -2.350 18433 1143 1 3 . 1 1 70 70 ASP H H 70 8.483 8.483 8.427 0.056 18433 1144 1 3 . 1 1 71 71 LEU N N 71 119.712 119.712 120.232 -0.520 18433 1145 1 3 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.794 0.087 18433 1146 1 3 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.794 -1.282 18433 1147 1 3 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.213 -0.966 18433 1148 1 3 . 1 1 71 71 LEU H H 71 7.515 7.515 8.216 -0.701 18433 1149 1 3 . 1 1 72 72 GLU N N 72 121.320 121.320 119.800 1.520 18433 1150 1 3 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.861 0.187 18433 1151 1 3 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.445 0.061 18433 1152 1 3 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.285 0.034 18433 1153 1 3 . 1 1 72 72 GLU H H 72 8.561 8.561 8.577 -0.016 18433 1154 1 3 . 1 1 73 73 LYS N N 73 119.338 119.338 118.011 1.327 18433 1155 1 3 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.861 -0.124 18433 1156 1 3 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.276 1.232 18433 1157 1 3 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.224 0.145 18433 1158 1 3 . 1 1 73 73 LYS H H 73 7.448 7.448 7.642 -0.194 18433 1159 1 3 . 1 1 74 74 LEU N N 74 117.830 117.830 123.610 -5.780 18433 1160 1 3 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.019 -0.139 18433 1161 1 3 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.805 -0.863 18433 1162 1 3 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.803 -0.307 18433 1163 1 3 . 1 1 74 74 LEU H H 74 7.516 7.516 7.438 0.078 18433 1164 1 3 . 1 1 75 75 ASP N N 75 117.736 117.736 118.756 -1.020 18433 1165 1 3 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.386 -0.144 18433 1166 1 3 . 1 1 75 75 ASP CA C 75 57.852 57.852 58.291 -0.439 18433 1167 1 3 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.453 1.870 18433 1168 1 3 . 1 1 75 75 ASP H H 75 7.828 7.828 7.922 -0.094 18433 1169 1 3 . 1 1 76 76 LEU N N 76 116.254 116.254 119.894 -3.640 18433 1170 1 3 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.184 -0.274 18433 1171 1 3 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.773 0.184 18433 1172 1 3 . 1 1 76 76 LEU CB C 76 41.827 41.827 41.887 -0.060 18433 1173 1 3 . 1 1 76 76 LEU H H 76 7.454 7.454 7.324 0.130 18433 1174 1 3 . 1 1 77 77 VAL N N 77 120.653 120.653 119.359 1.294 18433 1175 1 3 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.843 0.121 18433 1176 1 3 . 1 1 77 77 VAL CA C 77 66.879 66.879 66.640 0.239 18433 1177 1 3 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.688 0.332 18433 1178 1 3 . 1 1 77 77 VAL H H 77 8.626 8.626 8.525 0.101 18433 1179 1 3 . 1 1 78 78 ILE N N 78 122.189 122.189 120.633 1.556 18433 1180 1 3 . 1 1 78 78 ILE HA H 78 3.986 3.986 4.015 -0.029 18433 1181 1 3 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.581 -0.741 18433 1182 1 3 . 1 1 78 78 ILE CB C 78 35.672 35.672 36.872 -1.200 18433 1183 1 3 . 1 1 78 78 ILE H H 78 8.755 8.755 9.040 -0.285 18433 1184 1 3 . 1 1 79 79 LYS N N 79 119.030 119.030 120.093 -1.063 18433 1185 1 3 . 1 1 79 79 LYS HA H 79 3.881 3.881 3.977 -0.096 18433 1186 1 3 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.968 1.470 18433 1187 1 3 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.544 1.078 18433 1188 1 3 . 1 1 79 79 LYS H H 79 8.413 8.413 7.867 0.546 18433 1189 1 3 . 1 1 80 80 TYR N N 80 121.226 121.226 121.643 -0.417 18433 1190 1 3 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.136 0.172 18433 1191 1 3 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.594 0.410 18433 1192 1 3 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.004 0.007 18433 1193 1 3 . 1 1 80 80 TYR H H 80 8.205 8.205 7.890 0.315 18433 1194 1 3 . 1 1 81 81 MET N N 81 116.428 116.428 116.666 -0.238 18433 1195 1 3 . 1 1 81 81 MET HA H 81 3.711 3.711 4.015 -0.304 18433 1196 1 3 . 1 1 81 81 MET CA C 81 60.733 60.733 59.111 1.622 18433 1197 1 3 . 1 1 81 81 MET CB C 81 33.894 33.894 32.492 1.402 18433 1198 1 3 . 1 1 81 81 MET H H 81 8.578 8.578 8.715 -0.137 18433 1199 1 3 . 1 1 82 82 LYS N N 82 119.778 119.778 120.727 -0.949 18433 1200 1 3 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.412 -0.719 18433 1201 1 3 . 1 1 82 82 LYS CA C 82 59.983 59.983 59.989 -0.006 18433 1202 1 3 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.975 0.816 18433 1203 1 3 . 1 1 82 82 LYS H H 82 8.594 8.594 8.117 0.477 18433 1204 1 3 . 1 1 83 83 ARG N N 83 116.474 116.474 118.204 -1.730 18433 1205 1 3 . 1 1 83 83 ARG HA H 83 3.854 3.854 3.949 -0.095 18433 1206 1 3 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.842 -0.361 18433 1207 1 3 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.316 0.286 18433 1208 1 3 . 1 1 83 83 ARG H H 83 7.145 7.145 7.588 -0.443 18433 1209 1 3 . 1 1 84 84 LEU N N 84 116.576 116.576 120.712 -4.136 18433 1210 1 3 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.943 -0.115 18433 1211 1 3 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.169 -0.235 18433 1212 1 3 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.861 1.178 18433 1213 1 3 . 1 1 84 84 LEU H H 84 7.284 7.284 7.070 0.214 18433 1214 1 3 . 1 1 85 85 MET N N 85 115.841 115.841 116.647 -0.806 18433 1215 1 3 . 1 1 85 85 MET HA H 85 3.756 3.756 3.777 -0.021 18433 1216 1 3 . 1 1 85 85 MET CA C 85 59.260 59.260 58.299 0.961 18433 1217 1 3 . 1 1 85 85 MET CB C 85 32.487 32.487 32.499 -0.012 18433 1218 1 3 . 1 1 85 85 MET H H 85 8.683 8.683 8.264 0.419 18433 1219 1 3 . 1 1 86 86 GLN N N 86 114.640 114.640 114.385 0.255 18433 1220 1 3 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.153 0.208 18433 1221 1 3 . 1 1 86 86 GLN CA C 86 56.857 56.857 58.028 -1.171 18433 1222 1 3 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.117 -1.487 18433 1223 1 3 . 1 1 86 86 GLN H H 86 7.513 7.513 8.182 -0.669 18433 1224 1 3 . 1 1 87 87 GLN N N 87 117.352 117.352 117.179 0.173 18433 1225 1 3 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.212 0.010 18433 1226 1 3 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.403 -0.069 18433 1227 1 3 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.784 0.355 18433 1228 1 3 . 1 1 87 87 GLN H H 87 7.277 7.277 7.570 -0.293 18433 1229 1 3 . 1 1 88 88 SER N N 88 113.778 113.778 117.054 -3.276 18433 1230 1 3 . 1 1 88 88 SER HA H 88 4.431 4.431 4.240 0.191 18433 1231 1 3 . 1 1 88 88 SER CA C 88 58.372 58.372 59.901 -1.529 18433 1232 1 3 . 1 1 88 88 SER CB C 88 63.525 63.525 63.698 -0.173 18433 1233 1 3 . 1 1 88 88 SER H H 88 7.482 7.482 7.577 -0.095 18433 1234 1 3 . 1 1 89 89 VAL N N 89 120.934 120.934 121.217 -0.283 18433 1235 1 3 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.040 0.123 18433 1236 1 3 . 1 1 89 89 VAL CA C 89 62.661 62.661 64.116 -1.455 18433 1237 1 3 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.349 -0.377 18433 1238 1 3 . 1 1 89 89 VAL H H 89 8.188 8.188 8.491 -0.303 18433 1239 1 3 . 1 1 90 90 GLU N N 90 120.714 120.714 119.759 0.955 18433 1240 1 3 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.491 -0.050 18433 1241 1 3 . 1 1 90 90 GLU CA C 90 55.945 55.945 56.203 -0.258 18433 1242 1 3 . 1 1 90 90 GLU CB C 90 29.607 29.607 30.117 -0.510 18433 1243 1 3 . 1 1 90 90 GLU H H 90 8.411 8.411 8.103 0.308 18433 1244 1 3 . 1 1 91 91 SER HA H 91 4.451 4.451 4.316 0.135 18433 1245 1 3 . 1 1 91 91 SER CA C 91 59.681 59.681 61.321 -1.640 18433 1246 1 3 . 1 1 91 91 SER CB C 91 63.893 63.893 63.122 0.771 18433 1247 1 3 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.723 0.289 18433 1248 1 3 . 1 1 92 92 VAL CA C 92 64.738 64.738 65.557 -0.819 18433 1249 1 3 . 1 1 92 92 VAL CB C 92 31.013 31.013 31.670 -0.657 18433 1250 1 3 . 1 1 93 93 TRP N N 93 121.614 121.614 118.697 2.917 18433 1251 1 3 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.265 0.234 18433 1252 1 3 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.617 -0.941 18433 1253 1 3 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.139 0.718 18433 1254 1 3 . 1 1 93 93 TRP H H 93 7.551 7.551 7.441 0.110 18433 1255 1 3 . 1 1 94 94 ASN N N 94 119.013 119.013 116.787 2.226 18433 1256 1 3 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.462 -0.067 18433 1257 1 3 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.938 0.300 18433 1258 1 3 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.530 0.217 18433 1259 1 3 . 1 1 94 94 ASN H H 94 7.794 7.794 8.148 -0.354 18433 1260 1 3 . 1 1 95 95 MET N N 95 117.158 117.158 118.451 -1.293 18433 1261 1 3 . 1 1 95 95 MET HA H 95 4.346 4.346 4.363 -0.017 18433 1262 1 3 . 1 1 95 95 MET CA C 95 58.445 58.445 58.673 -0.228 18433 1263 1 3 . 1 1 95 95 MET CB C 95 32.436 32.436 32.489 -0.053 18433 1264 1 3 . 1 1 95 95 MET H H 95 7.751 7.751 7.369 0.382 18433 1265 1 3 . 1 1 96 96 ALA N N 96 123.406 123.406 123.008 0.398 18433 1266 1 3 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.128 0.079 18433 1267 1 3 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.280 0.165 18433 1268 1 3 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.062 -0.557 18433 1269 1 3 . 1 1 96 96 ALA H H 96 7.920 7.920 7.776 0.144 18433 1270 1 3 . 1 1 97 97 PHE N N 97 117.830 117.830 119.224 -1.394 18433 1271 1 3 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.251 -0.047 18433 1272 1 3 . 1 1 97 97 PHE CA C 97 62.853 62.853 61.258 1.595 18433 1273 1 3 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.051 -0.904 18433 1274 1 3 . 1 1 97 97 PHE H H 97 8.431 8.431 8.017 0.414 18433 1275 1 3 . 1 1 98 98 ASP N N 98 118.570 118.570 119.889 -1.319 18433 1276 1 3 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.075 0.173 18433 1277 1 3 . 1 1 98 98 ASP CA C 98 57.702 57.702 57.612 0.090 18433 1278 1 3 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.949 -0.549 18433 1279 1 3 . 1 1 98 98 ASP H H 98 7.805 7.805 7.773 0.032 18433 1280 1 3 . 1 1 99 99 PHE N N 99 119.874 119.874 121.118 -1.244 18433 1281 1 3 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.132 0.162 18433 1282 1 3 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.459 -0.276 18433 1283 1 3 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.186 0.296 18433 1284 1 3 . 1 1 99 99 PHE H H 99 7.920 7.920 8.106 -0.186 18433 1285 1 3 . 1 1 100 100 ILE N N 100 122.589 122.589 119.099 3.490 18433 1286 1 3 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.469 -0.066 18433 1287 1 3 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.434 0.663 18433 1288 1 3 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.947 0.745 18433 1289 1 3 . 1 1 100 100 ILE H H 100 8.573 8.573 8.038 0.535 18433 1290 1 3 . 1 1 101 101 LEU N N 101 119.531 119.531 120.430 -0.899 18433 1291 1 3 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.771 -0.057 18433 1292 1 3 . 1 1 101 101 LEU CA C 101 57.998 57.998 58.039 -0.041 18433 1293 1 3 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.266 -0.559 18433 1294 1 3 . 1 1 101 101 LEU H H 101 8.716 8.716 7.743 0.973 18433 1295 1 3 . 1 1 102 102 ASP N N 102 118.371 118.371 118.920 -0.549 18433 1296 1 3 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.336 -0.085 18433 1297 1 3 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.820 0.673 18433 1298 1 3 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.527 0.252 18433 1299 1 3 . 1 1 102 102 ASP H H 102 8.343 8.343 8.249 0.094 18433 1300 1 3 . 1 1 103 103 ASN N N 103 115.409 115.409 116.609 -1.200 18433 1301 1 3 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.640 -0.507 18433 1302 1 3 . 1 1 103 103 ASN CA C 103 57.079 57.079 54.999 2.080 18433 1303 1 3 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.290 -0.300 18433 1304 1 3 . 1 1 103 103 ASN H H 103 7.393 7.393 7.298 0.095 18433 1305 1 3 . 1 1 104 104 VAL N N 104 119.972 119.972 122.478 -2.506 18433 1306 1 3 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.601 -0.184 18433 1307 1 3 . 1 1 104 104 VAL CA C 104 66.949 66.949 67.377 -0.428 18433 1308 1 3 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.911 -0.089 18433 1309 1 3 . 1 1 104 104 VAL H H 104 8.299 8.299 8.558 -0.259 18433 1310 1 3 . 1 1 105 105 GLN N N 105 118.449 118.449 117.686 0.763 18433 1311 1 3 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.953 0.441 18433 1312 1 3 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.757 0.263 18433 1313 1 3 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.849 0.740 18433 1314 1 3 . 1 1 105 105 GLN H H 105 8.763 8.763 8.070 0.693 18433 1315 1 3 . 1 1 106 106 VAL N N 106 118.643 118.643 119.630 -0.987 18433 1316 1 3 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.779 -0.065 18433 1317 1 3 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.295 0.113 18433 1318 1 3 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.376 0.321 18433 1319 1 3 . 1 1 106 106 VAL H H 106 7.607 7.607 7.568 0.039 18433 1320 1 3 . 1 1 107 107 VAL N N 107 120.205 120.205 120.404 -0.199 18433 1321 1 3 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.777 -0.048 18433 1322 1 3 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.242 1.131 18433 1323 1 3 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.569 -0.251 18433 1324 1 3 . 1 1 107 107 VAL H H 107 7.329 7.329 7.437 -0.108 18433 1325 1 3 . 1 1 108 108 LEU N N 108 123.706 123.706 120.329 3.377 18433 1326 1 3 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.254 -0.231 18433 1327 1 3 . 1 1 108 108 LEU CA C 108 58.902 58.902 58.532 0.370 18433 1328 1 3 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.325 0.650 18433 1329 1 3 . 1 1 108 108 LEU H H 108 8.742 8.742 8.529 0.213 18433 1330 1 3 . 1 1 109 109 GLN N N 109 119.622 119.622 119.003 0.619 18433 1331 1 3 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.143 -0.162 18433 1332 1 3 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.818 0.248 18433 1333 1 3 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.766 -0.499 18433 1334 1 3 . 1 1 109 109 GLN H H 109 8.456 8.456 7.822 0.634 18433 1335 1 3 . 1 1 110 110 GLN N N 110 117.492 117.492 117.526 -0.034 18433 1336 1 3 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.077 -0.003 18433 1337 1 3 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.201 -0.125 18433 1338 1 3 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.562 0.130 18433 1339 1 3 . 1 1 110 110 GLN H H 110 8.060 8.060 7.909 0.151 18433 1340 1 3 . 1 1 111 111 THR N N 111 112.944 112.944 113.520 -0.576 18433 1341 1 3 . 1 1 111 111 THR HA H 111 4.017 4.017 4.044 -0.027 18433 1342 1 3 . 1 1 111 111 THR CA C 111 65.020 65.020 64.887 0.133 18433 1343 1 3 . 1 1 111 111 THR CB C 111 69.543 69.543 69.352 0.191 18433 1344 1 3 . 1 1 111 111 THR H H 111 7.934 7.934 7.394 0.540 18433 1345 1 3 . 1 1 112 112 TYR N N 112 118.273 118.273 117.634 0.639 18433 1346 1 3 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.642 0.055 18433 1347 1 3 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.838 -0.418 18433 1348 1 3 . 1 1 112 112 TYR CB C 112 40.341 40.341 39.532 0.809 18433 1349 1 3 . 1 1 112 112 TYR H H 112 8.404 8.404 8.334 0.070 18433 1350 1 3 . 1 1 113 113 GLY N N 113 109.593 109.593 105.439 4.154 18433 1351 1 3 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.085 0.924 18433 1352 1 3 . 1 1 113 113 GLY H H 113 7.990 7.990 7.845 0.145 18433 1353 1 3 . 1 1 114 114 SER N N 114 113.965 113.965 115.436 -1.471 18433 1354 1 3 . 1 1 114 114 SER HA H 114 4.630 4.630 4.640 -0.010 18433 1355 1 3 . 1 1 114 114 SER CA C 114 57.356 57.356 57.032 0.324 18433 1356 1 3 . 1 1 114 114 SER CB C 114 64.543 64.543 63.790 0.753 18433 1357 1 3 . 1 1 114 114 SER H H 114 7.636 7.636 8.051 -0.415 18433 1358 1 3 . 1 1 115 115 THR N N 115 110.456 110.456 110.853 -0.397 18433 1359 1 3 . 1 1 115 115 THR HA H 115 4.406 4.406 4.560 -0.154 18433 1360 1 3 . 1 1 115 115 THR CA C 115 61.125 61.125 60.852 0.273 18433 1361 1 3 . 1 1 115 115 THR CB C 115 70.288 70.288 70.961 -0.673 18433 1362 1 3 . 1 1 115 115 THR H H 115 7.828 7.828 8.027 -0.199 18433 1363 1 3 . 1 1 116 116 LEU N N 116 123.832 123.832 121.791 2.041 18433 1364 1 3 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.505 -0.199 18433 1365 1 3 . 1 1 116 116 LEU CA C 116 54.883 54.883 53.788 1.095 18433 1366 1 3 . 1 1 116 116 LEU CB C 116 42.795 42.795 43.234 -0.439 18433 1367 1 3 . 1 1 116 116 LEU H H 116 8.741 8.741 8.412 0.329 18433 1368 1 3 . 1 1 117 117 LYS N N 117 124.713 124.713 123.973 0.740 18433 1369 1 3 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.452 -0.039 18433 1370 1 3 . 1 1 117 117 LYS CA C 117 55.551 55.551 55.750 -0.199 18433 1371 1 3 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.230 1.321 18433 1372 1 3 . 1 1 117 117 LYS H H 117 8.479 8.479 8.452 0.027 18433 1373 1 3 . 1 1 118 118 VAL N N 118 122.419 122.419 122.714 -0.295 18433 1374 1 3 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.651 -0.409 18433 1375 1 3 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.799 0.156 18433 1376 1 3 . 1 1 118 118 VAL CB C 118 32.837 32.837 32.133 0.705 18433 1377 1 3 . 1 1 118 118 VAL H H 118 8.268 8.268 8.491 -0.223 18433 1378 1 4 . 1 1 24 24 ALA N N 24 123.308 123.308 124.251 -0.943 18433 1379 1 4 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.721 -0.177 18433 1380 1 4 . 1 1 24 24 ALA CA C 24 50.311 50.311 49.959 0.352 18433 1381 1 4 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.629 -1.032 18433 1382 1 4 . 1 1 24 24 ALA H H 24 7.820 7.820 7.838 -0.018 18433 1383 1 4 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.369 0.269 18433 1384 1 4 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.886 0.365 18433 1385 1 4 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.459 1.403 18433 1386 1 4 . 1 1 26 26 ASN N N 26 120.016 120.016 120.938 -0.922 18433 1387 1 4 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.548 -0.321 18433 1388 1 4 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.135 0.488 18433 1389 1 4 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.280 1.859 18433 1390 1 4 . 1 1 26 26 ASN H H 26 9.079 9.079 8.125 0.954 18433 1391 1 4 . 1 1 27 27 LEU N N 27 123.375 123.375 123.678 -0.303 18433 1392 1 4 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.501 -0.264 18433 1393 1 4 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.222 -0.919 18433 1394 1 4 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.910 -0.093 18433 1395 1 4 . 1 1 27 27 LEU H H 27 8.098 8.098 8.432 -0.334 18433 1396 1 4 . 1 1 28 28 ALA N N 28 126.889 126.889 129.557 -2.668 18433 1397 1 4 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.954 -0.280 18433 1398 1 4 . 1 1 28 28 ALA CA C 28 52.381 52.381 52.629 -0.248 18433 1399 1 4 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.032 1.897 18433 1400 1 4 . 1 1 28 28 ALA H H 28 9.215 9.215 9.027 0.188 18433 1401 1 4 . 1 1 29 29 GLY N N 29 102.532 102.532 101.740 0.792 18433 1402 1 4 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.724 0.114 18433 1403 1 4 . 1 1 29 29 GLY H H 29 7.943 7.943 8.316 -0.373 18433 1404 1 4 . 1 1 30 30 ALA N N 30 125.002 125.002 122.172 2.830 18433 1405 1 4 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.697 -0.446 18433 1406 1 4 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.616 1.532 18433 1407 1 4 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.236 -0.802 18433 1408 1 4 . 1 1 30 30 ALA H H 30 8.040 8.040 7.663 0.377 18433 1409 1 4 . 1 1 31 31 VAL N N 31 119.492 119.492 124.828 -5.336 18433 1410 1 4 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.155 0.113 18433 1411 1 4 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.781 -1.383 18433 1412 1 4 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.504 2.454 18433 1413 1 4 . 1 1 31 31 VAL H H 31 8.415 8.415 8.681 -0.266 18433 1414 1 4 . 1 1 32 32 GLU N N 32 122.142 122.142 119.245 2.897 18433 1415 1 4 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.402 -0.128 18433 1416 1 4 . 1 1 32 32 GLU CA C 32 56.196 56.196 55.979 0.217 18433 1417 1 4 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.300 -0.961 18433 1418 1 4 . 1 1 32 32 GLU H H 32 8.757 8.757 8.074 0.683 18433 1419 1 4 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.151 0.104 18433 1420 1 4 . 1 1 33 33 PHE CA C 33 61.336 61.336 62.122 -0.786 18433 1421 1 4 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.356 -0.712 18433 1422 1 4 . 1 1 34 34 SER N N 34 112.028 112.028 113.724 -1.696 18433 1423 1 4 . 1 1 34 34 SER HA H 34 3.652 3.652 3.689 -0.037 18433 1424 1 4 . 1 1 34 34 SER CA C 34 61.642 61.642 61.561 0.081 18433 1425 1 4 . 1 1 34 34 SER CB C 34 61.807 61.807 62.766 -0.959 18433 1426 1 4 . 1 1 34 34 SER H H 34 8.902 8.902 8.709 0.193 18433 1427 1 4 . 1 1 35 35 ASP N N 35 121.321 121.321 119.924 1.397 18433 1428 1 4 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.418 0.080 18433 1429 1 4 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.524 0.036 18433 1430 1 4 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.498 0.729 18433 1431 1 4 . 1 1 35 35 ASP H H 35 6.930 6.930 7.456 -0.526 18433 1432 1 4 . 1 1 36 36 VAL N N 36 123.532 123.532 119.849 3.683 18433 1433 1 4 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.499 -0.251 18433 1434 1 4 . 1 1 36 36 VAL CA C 36 67.358 67.358 66.109 1.249 18433 1435 1 4 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.561 0.531 18433 1436 1 4 . 1 1 36 36 VAL H H 36 8.014 8.014 7.479 0.535 18433 1437 1 4 . 1 1 37 37 LYS N N 37 118.036 118.036 117.637 0.399 18433 1438 1 4 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.607 -0.140 18433 1439 1 4 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.285 0.964 18433 1440 1 4 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.533 0.776 18433 1441 1 4 . 1 1 37 37 LYS H H 37 8.384 8.384 7.891 0.493 18433 1442 1 4 . 1 1 38 38 THR N N 38 115.765 115.765 116.806 -1.041 18433 1443 1 4 . 1 1 38 38 THR HA H 38 3.872 3.872 4.084 -0.212 18433 1444 1 4 . 1 1 38 38 THR CA C 38 66.652 66.652 66.004 0.647 18433 1445 1 4 . 1 1 38 38 THR CB C 38 68.664 68.664 68.768 -0.104 18433 1446 1 4 . 1 1 38 38 THR H H 38 7.344 7.344 7.312 0.032 18433 1447 1 4 . 1 1 39 39 LEU N N 39 123.362 123.362 121.722 1.640 18433 1448 1 4 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.339 0.008 18433 1449 1 4 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.610 0.647 18433 1450 1 4 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.777 1.529 18433 1451 1 4 . 1 1 39 39 LEU H H 39 7.701 7.701 7.459 0.242 18433 1452 1 4 . 1 1 40 40 LEU N N 40 118.128 118.128 119.730 -1.602 18433 1453 1 4 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.146 0.229 18433 1454 1 4 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.276 0.035 18433 1455 1 4 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.433 1.355 18433 1456 1 4 . 1 1 40 40 LEU H H 40 8.434 8.434 7.949 0.485 18433 1457 1 4 . 1 1 41 41 LYS N N 41 117.838 117.838 119.239 -1.401 18433 1458 1 4 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.842 0.020 18433 1459 1 4 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.897 -0.001 18433 1460 1 4 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.602 -0.906 18433 1461 1 4 . 1 1 41 41 LYS H H 41 8.571 8.571 8.292 0.279 18433 1462 1 4 . 1 1 42 42 GLU N N 42 122.248 122.248 117.496 4.752 18433 1463 1 4 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.217 -0.326 18433 1464 1 4 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.286 1.660 18433 1465 1 4 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.316 0.287 18433 1466 1 4 . 1 1 42 42 GLU H H 42 8.276 8.276 7.797 0.479 18433 1467 1 4 . 1 1 43 43 TRP N N 43 123.115 123.115 121.845 1.270 18433 1468 1 4 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.468 -1.443 18433 1469 1 4 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.608 -1.803 18433 1470 1 4 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.415 -0.763 18433 1471 1 4 . 1 1 43 43 TRP H H 43 8.318 8.318 7.997 0.321 18433 1472 1 4 . 1 1 44 44 ILE N N 44 112.941 112.941 113.974 -1.033 18433 1473 1 4 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.529 -0.990 18433 1474 1 4 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.096 1.345 18433 1475 1 4 . 1 1 44 44 ILE CB C 44 38.393 38.393 37.985 0.408 18433 1476 1 4 . 1 1 44 44 ILE H H 44 7.567 7.567 7.469 0.098 18433 1477 1 4 . 1 1 45 45 THR N N 45 106.451 106.451 113.208 -6.757 18433 1478 1 4 . 1 1 45 45 THR HA H 45 4.080 4.080 4.221 -0.141 18433 1479 1 4 . 1 1 45 45 THR CA C 45 63.681 63.681 64.400 -0.719 18433 1480 1 4 . 1 1 45 45 THR CB C 45 70.147 70.147 69.229 0.918 18433 1481 1 4 . 1 1 45 45 THR H H 45 7.653 7.653 7.694 -0.041 18433 1482 1 4 . 1 1 46 46 THR N N 46 110.600 110.600 116.095 -5.495 18433 1483 1 4 . 1 1 46 46 THR HA H 46 4.557 4.557 4.214 0.343 18433 1484 1 4 . 1 1 46 46 THR CA C 46 62.972 62.972 65.159 -2.187 18433 1485 1 4 . 1 1 46 46 THR CB C 46 71.039 71.039 69.264 1.775 18433 1486 1 4 . 1 1 46 46 THR H H 46 7.502 7.502 8.159 -0.657 18433 1487 1 4 . 1 1 47 47 ILE N N 47 124.370 124.370 120.545 3.825 18433 1488 1 4 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.320 0.153 18433 1489 1 4 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.560 -1.957 18433 1490 1 4 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.426 -3.925 18433 1491 1 4 . 1 1 47 47 ILE H H 47 7.533 7.533 7.398 0.135 18433 1492 1 4 . 1 1 48 48 SER N N 48 119.846 119.846 119.674 0.172 18433 1493 1 4 . 1 1 48 48 SER HA H 48 4.498 4.498 4.730 -0.232 18433 1494 1 4 . 1 1 48 48 SER CA C 48 59.280 59.280 58.489 0.791 18433 1495 1 4 . 1 1 48 48 SER CB C 48 63.813 63.813 64.442 -0.629 18433 1496 1 4 . 1 1 48 48 SER H H 48 8.423 8.423 8.660 -0.237 18433 1497 1 4 . 1 1 49 49 ASP N N 49 119.475 119.475 120.808 -1.333 18433 1498 1 4 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.812 -0.013 18433 1499 1 4 . 1 1 49 49 ASP CA C 49 50.804 50.804 51.093 -0.289 18433 1500 1 4 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.748 -0.267 18433 1501 1 4 . 1 1 49 49 ASP H H 49 7.298 7.298 8.045 -0.747 18433 1502 1 4 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.423 -0.255 18433 1503 1 4 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.644 -0.732 18433 1504 1 4 . 1 1 50 50 PRO CB C 50 31.747 31.747 31.992 -0.245 18433 1505 1 4 . 1 1 51 51 MET N N 51 121.983 121.983 120.504 1.479 18433 1506 1 4 . 1 1 51 51 MET HA H 51 4.492 4.492 4.590 -0.098 18433 1507 1 4 . 1 1 51 51 MET CA C 51 55.165 55.165 54.398 0.767 18433 1508 1 4 . 1 1 51 51 MET CB C 51 33.974 33.974 34.637 -0.663 18433 1509 1 4 . 1 1 51 51 MET H H 51 9.258 9.258 8.492 0.766 18433 1510 1 4 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.697 0.135 18433 1511 1 4 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.109 0.390 18433 1512 1 4 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.551 0.172 18433 1513 1 4 . 1 1 53 53 GLU N N 53 116.755 116.755 118.837 -2.082 18433 1514 1 4 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.108 -0.043 18433 1515 1 4 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.728 0.443 18433 1516 1 4 . 1 1 53 53 GLU CB C 53 29.644 29.644 29.164 0.480 18433 1517 1 4 . 1 1 53 53 GLU H H 53 9.834 9.834 8.613 1.221 18433 1518 1 4 . 1 1 54 54 ASP N N 54 117.972 117.972 118.682 -0.710 18433 1519 1 4 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.332 0.666 18433 1520 1 4 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.280 0.781 18433 1521 1 4 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.561 1.705 18433 1522 1 4 . 1 1 54 54 ASP H H 54 7.348 7.348 8.399 -1.051 18433 1523 1 4 . 1 1 55 55 ILE N N 55 122.004 122.004 119.762 2.242 18433 1524 1 4 . 1 1 55 55 ILE HA H 55 3.935 3.935 4.057 -0.122 18433 1525 1 4 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.528 2.003 18433 1526 1 4 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.177 -0.038 18433 1527 1 4 . 1 1 55 55 ILE H H 55 8.081 8.081 8.099 -0.018 18433 1528 1 4 . 1 1 56 56 LEU N N 56 117.547 117.547 120.740 -3.193 18433 1529 1 4 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.193 -0.043 18433 1530 1 4 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.188 -0.253 18433 1531 1 4 . 1 1 56 56 LEU CB C 56 40.977 40.977 41.659 -0.682 18433 1532 1 4 . 1 1 56 56 LEU H H 56 8.770 8.770 7.771 0.999 18433 1533 1 4 . 1 1 57 57 GLN N N 57 119.917 119.917 117.578 2.339 18433 1534 1 4 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.040 0.026 18433 1535 1 4 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.977 1.394 18433 1536 1 4 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.236 -0.296 18433 1537 1 4 . 1 1 57 57 GLN H H 57 7.734 7.734 7.905 -0.171 18433 1538 1 4 . 1 1 58 58 VAL N N 58 122.347 122.347 118.308 4.039 18433 1539 1 4 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.854 -0.239 18433 1540 1 4 . 1 1 58 58 VAL CA C 58 67.230 67.230 64.690 2.540 18433 1541 1 4 . 1 1 58 58 VAL CB C 58 31.272 31.272 30.905 0.367 18433 1542 1 4 . 1 1 58 58 VAL H H 58 7.727 7.727 7.473 0.254 18433 1543 1 4 . 1 1 59 59 VAL N N 59 121.131 121.131 121.556 -0.425 18433 1544 1 4 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.697 -0.291 18433 1545 1 4 . 1 1 59 59 VAL CA C 59 68.048 68.048 67.015 1.033 18433 1546 1 4 . 1 1 59 59 VAL CB C 59 31.542 31.542 31.292 0.250 18433 1547 1 4 . 1 1 59 59 VAL H H 59 8.341 8.341 7.729 0.612 18433 1548 1 4 . 1 1 60 60 ARG N N 60 120.942 120.942 118.488 2.454 18433 1549 1 4 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.157 -0.042 18433 1550 1 4 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.546 -0.133 18433 1551 1 4 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.618 0.123 18433 1552 1 4 . 1 1 60 60 ARG H H 60 8.457 8.457 7.816 0.641 18433 1553 1 4 . 1 1 61 61 TYR N N 61 120.718 120.718 121.543 -0.825 18433 1554 1 4 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.316 0.250 18433 1555 1 4 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.312 -0.558 18433 1556 1 4 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.726 -0.373 18433 1557 1 4 . 1 1 61 61 TYR H H 61 7.833 7.833 7.455 0.378 18433 1558 1 4 . 1 1 62 62 CYS N N 62 114.924 114.924 117.732 -2.808 18433 1559 1 4 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.938 -0.265 18433 1560 1 4 . 1 1 62 62 CYS CA C 62 64.281 64.281 64.472 -0.191 18433 1561 1 4 . 1 1 62 62 CYS CB C 62 27.717 27.717 28.176 -0.459 18433 1562 1 4 . 1 1 62 62 CYS H H 62 8.079 8.079 8.403 -0.324 18433 1563 1 4 . 1 1 63 63 THR N N 63 114.103 114.103 113.585 0.518 18433 1564 1 4 . 1 1 63 63 THR HA H 63 3.852 3.852 3.995 -0.143 18433 1565 1 4 . 1 1 63 63 THR CA C 63 66.871 66.871 66.022 0.849 18433 1566 1 4 . 1 1 63 63 THR CB C 63 67.762 67.762 68.229 -0.467 18433 1567 1 4 . 1 1 63 63 THR H H 63 8.721 8.721 8.647 0.074 18433 1568 1 4 . 1 1 64 64 ASP N N 64 126.664 126.664 121.052 5.612 18433 1569 1 4 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.522 -0.101 18433 1570 1 4 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.915 0.869 18433 1571 1 4 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.196 -0.954 18433 1572 1 4 . 1 1 64 64 ASP H H 64 8.771 8.771 7.438 1.333 18433 1573 1 4 . 1 1 65 65 LEU N N 65 119.722 119.722 120.979 -1.257 18433 1574 1 4 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.972 -0.100 18433 1575 1 4 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.849 0.403 18433 1576 1 4 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.483 0.007 18433 1577 1 4 . 1 1 65 65 LEU H H 65 7.850 7.850 7.559 0.291 18433 1578 1 4 . 1 1 66 66 ILE N N 66 119.189 119.189 119.606 -0.417 18433 1579 1 4 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.906 -0.508 18433 1580 1 4 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.669 0.529 18433 1581 1 4 . 1 1 66 66 ILE CB C 66 37.730 37.730 37.965 -0.235 18433 1582 1 4 . 1 1 66 66 ILE H H 66 7.636 7.636 7.348 0.288 18433 1583 1 4 . 1 1 67 67 GLU N N 67 123.166 123.166 117.409 5.757 18433 1584 1 4 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.099 -0.104 18433 1585 1 4 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.312 1.283 18433 1586 1 4 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.072 0.112 18433 1587 1 4 . 1 1 67 67 GLU H H 67 8.512 8.512 7.966 0.546 18433 1588 1 4 . 1 1 68 68 GLU N N 68 116.524 116.524 117.122 -0.598 18433 1589 1 4 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.301 -0.006 18433 1590 1 4 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.504 -0.726 18433 1591 1 4 . 1 1 68 68 GLU CB C 68 29.535 29.535 30.165 -0.630 18433 1592 1 4 . 1 1 68 68 GLU H H 68 7.633 7.633 8.000 -0.367 18433 1593 1 4 . 1 1 69 69 LYS N N 69 116.625 116.625 115.678 0.947 18433 1594 1 4 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.115 -0.470 18433 1595 1 4 . 1 1 69 69 LYS CA C 69 57.369 57.369 57.038 0.331 18433 1596 1 4 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.457 0.343 18433 1597 1 4 . 1 1 69 69 LYS H H 69 8.066 8.066 7.903 0.163 18433 1598 1 4 . 1 1 70 70 ASP N N 70 122.727 122.727 118.787 3.940 18433 1599 1 4 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.875 0.165 18433 1600 1 4 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.710 -2.314 18433 1601 1 4 . 1 1 70 70 ASP CB C 70 38.761 38.761 41.241 -2.480 18433 1602 1 4 . 1 1 70 70 ASP H H 70 8.483 8.483 8.546 -0.063 18433 1603 1 4 . 1 1 71 71 LEU N N 71 119.712 119.712 120.032 -0.320 18433 1604 1 4 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.869 0.012 18433 1605 1 4 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.398 -0.886 18433 1606 1 4 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.149 -0.902 18433 1607 1 4 . 1 1 71 71 LEU H H 71 7.515 7.515 8.152 -0.637 18433 1608 1 4 . 1 1 72 72 GLU N N 72 121.320 121.320 119.619 1.701 18433 1609 1 4 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.877 0.171 18433 1610 1 4 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.463 0.043 18433 1611 1 4 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.075 0.244 18433 1612 1 4 . 1 1 72 72 GLU H H 72 8.561 8.561 8.544 0.017 18433 1613 1 4 . 1 1 73 73 LYS N N 73 119.338 119.338 117.832 1.506 18433 1614 1 4 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.875 -0.138 18433 1615 1 4 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.043 1.465 18433 1616 1 4 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.086 0.283 18433 1617 1 4 . 1 1 73 73 LYS H H 73 7.448 7.448 7.506 -0.058 18433 1618 1 4 . 1 1 74 74 LEU N N 74 117.830 117.830 123.829 -5.999 18433 1619 1 4 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.027 -0.147 18433 1620 1 4 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.702 -0.760 18433 1621 1 4 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.802 -0.306 18433 1622 1 4 . 1 1 74 74 LEU H H 74 7.516 7.516 7.461 0.055 18433 1623 1 4 . 1 1 75 75 ASP N N 75 117.736 117.736 118.663 -0.927 18433 1624 1 4 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.426 -0.184 18433 1625 1 4 . 1 1 75 75 ASP CA C 75 57.852 57.852 58.254 -0.402 18433 1626 1 4 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.620 1.703 18433 1627 1 4 . 1 1 75 75 ASP H H 75 7.828 7.828 7.958 -0.130 18433 1628 1 4 . 1 1 76 76 LEU N N 76 116.254 116.254 119.886 -3.632 18433 1629 1 4 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.162 -0.252 18433 1630 1 4 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.786 0.171 18433 1631 1 4 . 1 1 76 76 LEU CB C 76 41.827 41.827 41.941 -0.114 18433 1632 1 4 . 1 1 76 76 LEU H H 76 7.454 7.454 7.334 0.120 18433 1633 1 4 . 1 1 77 77 VAL N N 77 120.653 120.653 119.622 1.031 18433 1634 1 4 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.789 0.175 18433 1635 1 4 . 1 1 77 77 VAL CA C 77 66.879 66.879 67.376 -0.497 18433 1636 1 4 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.899 0.120 18433 1637 1 4 . 1 1 77 77 VAL H H 77 8.626 8.626 8.534 0.092 18433 1638 1 4 . 1 1 78 78 ILE N N 78 122.189 122.189 120.590 1.599 18433 1639 1 4 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.978 0.008 18433 1640 1 4 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.522 -0.682 18433 1641 1 4 . 1 1 78 78 ILE CB C 78 35.672 35.672 37.002 -1.330 18433 1642 1 4 . 1 1 78 78 ILE H H 78 8.755 8.755 8.736 0.019 18433 1643 1 4 . 1 1 79 79 LYS N N 79 119.030 119.030 120.056 -1.026 18433 1644 1 4 . 1 1 79 79 LYS HA H 79 3.881 3.881 3.970 -0.089 18433 1645 1 4 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.960 1.478 18433 1646 1 4 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.560 1.062 18433 1647 1 4 . 1 1 79 79 LYS H H 79 8.413 8.413 7.847 0.566 18433 1648 1 4 . 1 1 80 80 TYR N N 80 121.226 121.226 121.633 -0.407 18433 1649 1 4 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.139 0.169 18433 1650 1 4 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.593 0.411 18433 1651 1 4 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.037 -0.026 18433 1652 1 4 . 1 1 80 80 TYR H H 80 8.205 8.205 7.895 0.310 18433 1653 1 4 . 1 1 81 81 MET N N 81 116.428 116.428 116.718 -0.290 18433 1654 1 4 . 1 1 81 81 MET HA H 81 3.711 3.711 3.989 -0.278 18433 1655 1 4 . 1 1 81 81 MET CA C 81 60.733 60.733 59.110 1.623 18433 1656 1 4 . 1 1 81 81 MET CB C 81 33.894 33.894 32.467 1.427 18433 1657 1 4 . 1 1 81 81 MET H H 81 8.578 8.578 8.712 -0.134 18433 1658 1 4 . 1 1 82 82 LYS N N 82 119.778 119.778 120.659 -0.881 18433 1659 1 4 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.381 -0.688 18433 1660 1 4 . 1 1 82 82 LYS CA C 82 59.983 59.983 59.947 0.036 18433 1661 1 4 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.956 0.835 18433 1662 1 4 . 1 1 82 82 LYS H H 82 8.594 8.594 8.081 0.513 18433 1663 1 4 . 1 1 83 83 ARG N N 83 116.474 116.474 118.159 -1.685 18433 1664 1 4 . 1 1 83 83 ARG HA H 83 3.854 3.854 3.951 -0.097 18433 1665 1 4 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.814 -0.333 18433 1666 1 4 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.308 0.294 18433 1667 1 4 . 1 1 83 83 ARG H H 83 7.145 7.145 7.561 -0.416 18433 1668 1 4 . 1 1 84 84 LEU N N 84 116.576 116.576 120.817 -4.241 18433 1669 1 4 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.917 -0.089 18433 1670 1 4 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.061 -0.127 18433 1671 1 4 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.913 1.126 18433 1672 1 4 . 1 1 84 84 LEU H H 84 7.284 7.284 7.043 0.241 18433 1673 1 4 . 1 1 85 85 MET N N 85 115.841 115.841 115.242 0.599 18433 1674 1 4 . 1 1 85 85 MET HA H 85 3.756 3.756 3.699 0.057 18433 1675 1 4 . 1 1 85 85 MET CA C 85 59.260 59.260 58.320 0.940 18433 1676 1 4 . 1 1 85 85 MET CB C 85 32.487 32.487 32.522 -0.035 18433 1677 1 4 . 1 1 85 85 MET H H 85 8.683 8.683 8.075 0.608 18433 1678 1 4 . 1 1 86 86 GLN N N 86 114.640 114.640 114.432 0.208 18433 1679 1 4 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.151 0.210 18433 1680 1 4 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.609 -0.752 18433 1681 1 4 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.448 -1.818 18433 1682 1 4 . 1 1 86 86 GLN H H 86 7.513 7.513 8.050 -0.537 18433 1683 1 4 . 1 1 87 87 GLN N N 87 117.352 117.352 116.524 0.828 18433 1684 1 4 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.236 -0.014 18433 1685 1 4 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.119 0.215 18433 1686 1 4 . 1 1 87 87 GLN CB C 87 29.139 29.139 29.049 0.090 18433 1687 1 4 . 1 1 87 87 GLN H H 87 7.277 7.277 7.613 -0.336 18433 1688 1 4 . 1 1 88 88 SER N N 88 113.778 113.778 114.412 -0.634 18433 1689 1 4 . 1 1 88 88 SER HA H 88 4.431 4.431 4.214 0.217 18433 1690 1 4 . 1 1 88 88 SER CA C 88 58.372 58.372 58.394 -0.022 18433 1691 1 4 . 1 1 88 88 SER CB C 88 63.525 63.525 64.032 -0.507 18433 1692 1 4 . 1 1 88 88 SER H H 88 7.482 7.482 7.447 0.035 18433 1693 1 4 . 1 1 89 89 VAL N N 89 120.934 120.934 118.625 2.309 18433 1694 1 4 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.159 0.004 18433 1695 1 4 . 1 1 89 89 VAL CA C 89 62.661 62.661 63.047 -0.386 18433 1696 1 4 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.359 -0.387 18433 1697 1 4 . 1 1 89 89 VAL H H 89 8.188 8.188 8.632 -0.444 18433 1698 1 4 . 1 1 90 90 GLU N N 90 120.714 120.714 120.434 0.280 18433 1699 1 4 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.500 -0.059 18433 1700 1 4 . 1 1 90 90 GLU CA C 90 55.945 55.945 55.177 0.768 18433 1701 1 4 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.717 -0.110 18433 1702 1 4 . 1 1 90 90 GLU H H 90 8.411 8.411 8.435 -0.024 18433 1703 1 4 . 1 1 91 91 SER HA H 91 4.451 4.451 4.425 0.026 18433 1704 1 4 . 1 1 91 91 SER CA C 91 59.681 59.681 60.999 -1.318 18433 1705 1 4 . 1 1 91 91 SER CB C 91 63.893 63.893 63.201 0.692 18433 1706 1 4 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.652 0.360 18433 1707 1 4 . 1 1 92 92 VAL CA C 92 64.738 64.738 65.956 -1.218 18433 1708 1 4 . 1 1 92 92 VAL CB C 92 31.013 31.013 31.630 -0.617 18433 1709 1 4 . 1 1 93 93 TRP N N 93 121.614 121.614 118.830 2.784 18433 1710 1 4 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.241 0.258 18433 1711 1 4 . 1 1 93 93 TRP CA C 93 59.676 59.676 61.080 -1.404 18433 1712 1 4 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.166 0.691 18433 1713 1 4 . 1 1 93 93 TRP H H 93 7.551 7.551 7.952 -0.401 18433 1714 1 4 . 1 1 94 94 ASN N N 94 119.013 119.013 116.822 2.191 18433 1715 1 4 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.422 -0.027 18433 1716 1 4 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.440 0.798 18433 1717 1 4 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.270 0.477 18433 1718 1 4 . 1 1 94 94 ASN H H 94 7.794 7.794 8.102 -0.308 18433 1719 1 4 . 1 1 95 95 MET N N 95 117.158 117.158 118.690 -1.532 18433 1720 1 4 . 1 1 95 95 MET HA H 95 4.346 4.346 4.342 0.004 18433 1721 1 4 . 1 1 95 95 MET CA C 95 58.445 58.445 58.537 -0.092 18433 1722 1 4 . 1 1 95 95 MET CB C 95 32.436 32.436 32.484 -0.049 18433 1723 1 4 . 1 1 95 95 MET H H 95 7.751 7.751 7.427 0.324 18433 1724 1 4 . 1 1 96 96 ALA N N 96 123.406 123.406 123.268 0.138 18433 1725 1 4 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.139 0.068 18433 1726 1 4 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.330 0.115 18433 1727 1 4 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.126 -0.621 18433 1728 1 4 . 1 1 96 96 ALA H H 96 7.920 7.920 7.856 0.063 18433 1729 1 4 . 1 1 97 97 PHE N N 97 117.830 117.830 119.014 -1.184 18433 1730 1 4 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.292 -0.088 18433 1731 1 4 . 1 1 97 97 PHE CA C 97 62.853 62.853 61.121 1.732 18433 1732 1 4 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.045 -0.898 18433 1733 1 4 . 1 1 97 97 PHE H H 97 8.431 8.431 8.106 0.325 18433 1734 1 4 . 1 1 98 98 ASP N N 98 118.570 118.570 119.721 -1.151 18433 1735 1 4 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.115 0.133 18433 1736 1 4 . 1 1 98 98 ASP CA C 98 57.702 57.702 57.676 0.026 18433 1737 1 4 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.827 -0.427 18433 1738 1 4 . 1 1 98 98 ASP H H 98 7.805 7.805 7.865 -0.060 18433 1739 1 4 . 1 1 99 99 PHE N N 99 119.874 119.874 120.766 -0.892 18433 1740 1 4 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.173 0.121 18433 1741 1 4 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.584 -0.401 18433 1742 1 4 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.320 0.162 18433 1743 1 4 . 1 1 99 99 PHE H H 99 7.920 7.920 8.128 -0.208 18433 1744 1 4 . 1 1 100 100 ILE N N 100 122.589 122.589 119.289 3.300 18433 1745 1 4 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.498 -0.095 18433 1746 1 4 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.424 0.673 18433 1747 1 4 . 1 1 100 100 ILE CB C 100 38.692 38.692 38.010 0.682 18433 1748 1 4 . 1 1 100 100 ILE H H 100 8.573 8.573 7.947 0.626 18433 1749 1 4 . 1 1 101 101 LEU N N 101 119.531 119.531 120.611 -1.080 18433 1750 1 4 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.785 -0.071 18433 1751 1 4 . 1 1 101 101 LEU CA C 101 57.998 57.998 57.901 0.097 18433 1752 1 4 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.320 -0.613 18433 1753 1 4 . 1 1 101 101 LEU H H 101 8.716 8.716 7.607 1.109 18433 1754 1 4 . 1 1 102 102 ASP N N 102 118.371 118.371 119.420 -1.049 18433 1755 1 4 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.337 -0.086 18433 1756 1 4 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.937 0.556 18433 1757 1 4 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.683 0.096 18433 1758 1 4 . 1 1 102 102 ASP H H 102 8.343 8.343 8.390 -0.047 18433 1759 1 4 . 1 1 103 103 ASN N N 103 115.409 115.409 115.761 -0.352 18433 1760 1 4 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.621 -0.488 18433 1761 1 4 . 1 1 103 103 ASN CA C 103 57.079 57.079 55.283 1.796 18433 1762 1 4 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.013 -0.023 18433 1763 1 4 . 1 1 103 103 ASN H H 103 7.393 7.393 7.267 0.126 18433 1764 1 4 . 1 1 104 104 VAL N N 104 119.972 119.972 122.189 -2.217 18433 1765 1 4 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.691 -0.274 18433 1766 1 4 . 1 1 104 104 VAL CA C 104 66.949 66.949 67.017 -0.068 18433 1767 1 4 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.824 -0.002 18433 1768 1 4 . 1 1 104 104 VAL H H 104 8.299 8.299 8.572 -0.273 18433 1769 1 4 . 1 1 105 105 GLN N N 105 118.449 118.449 118.094 0.355 18433 1770 1 4 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.936 0.458 18433 1771 1 4 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.820 0.200 18433 1772 1 4 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.926 0.664 18433 1773 1 4 . 1 1 105 105 GLN H H 105 8.763 8.763 8.001 0.762 18433 1774 1 4 . 1 1 106 106 VAL N N 106 118.643 118.643 119.619 -0.976 18433 1775 1 4 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.764 -0.050 18433 1776 1 4 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.326 0.082 18433 1777 1 4 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.381 0.316 18433 1778 1 4 . 1 1 106 106 VAL H H 106 7.607 7.607 7.614 -0.007 18433 1779 1 4 . 1 1 107 107 VAL N N 107 120.205 120.205 119.637 0.568 18433 1780 1 4 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.692 0.037 18433 1781 1 4 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.795 0.578 18433 1782 1 4 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.872 -0.554 18433 1783 1 4 . 1 1 107 107 VAL H H 107 7.329 7.329 7.322 0.007 18433 1784 1 4 . 1 1 108 108 LEU N N 108 123.706 123.706 118.966 4.740 18433 1785 1 4 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.267 -0.244 18433 1786 1 4 . 1 1 108 108 LEU CA C 108 58.902 58.902 57.812 1.090 18433 1787 1 4 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.774 0.201 18433 1788 1 4 . 1 1 108 108 LEU H H 108 8.742 8.742 8.188 0.554 18433 1789 1 4 . 1 1 109 109 GLN N N 109 119.622 119.622 119.010 0.612 18433 1790 1 4 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.135 -0.154 18433 1791 1 4 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.817 0.249 18433 1792 1 4 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.743 -0.476 18433 1793 1 4 . 1 1 109 109 GLN H H 109 8.456 8.456 7.834 0.622 18433 1794 1 4 . 1 1 110 110 GLN N N 110 117.492 117.492 117.503 -0.011 18433 1795 1 4 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.067 0.007 18433 1796 1 4 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.195 -0.119 18433 1797 1 4 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.560 0.132 18433 1798 1 4 . 1 1 110 110 GLN H H 110 8.060 8.060 7.890 0.170 18433 1799 1 4 . 1 1 111 111 THR N N 111 112.944 112.944 114.238 -1.294 18433 1800 1 4 . 1 1 111 111 THR HA H 111 4.017 4.017 4.050 -0.033 18433 1801 1 4 . 1 1 111 111 THR CA C 111 65.020 65.020 64.742 0.278 18433 1802 1 4 . 1 1 111 111 THR CB C 111 69.543 69.543 69.271 0.272 18433 1803 1 4 . 1 1 111 111 THR H H 111 7.934 7.934 7.424 0.510 18433 1804 1 4 . 1 1 112 112 TYR N N 112 118.273 118.273 117.448 0.825 18433 1805 1 4 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.510 0.187 18433 1806 1 4 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.177 0.243 18433 1807 1 4 . 1 1 112 112 TYR CB C 112 40.341 40.341 40.209 0.132 18433 1808 1 4 . 1 1 112 112 TYR H H 112 8.404 8.404 8.012 0.392 18433 1809 1 4 . 1 1 113 113 GLY N N 113 109.593 109.593 105.228 4.365 18433 1810 1 4 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.078 0.931 18433 1811 1 4 . 1 1 113 113 GLY H H 113 7.990 7.990 7.874 0.116 18433 1812 1 4 . 1 1 114 114 SER N N 114 113.965 113.965 115.162 -1.197 18433 1813 1 4 . 1 1 114 114 SER HA H 114 4.630 4.630 4.632 -0.002 18433 1814 1 4 . 1 1 114 114 SER CA C 114 57.356 57.356 57.321 0.035 18433 1815 1 4 . 1 1 114 114 SER CB C 114 64.543 64.543 64.065 0.478 18433 1816 1 4 . 1 1 114 114 SER H H 114 7.636 7.636 7.988 -0.352 18433 1817 1 4 . 1 1 115 115 THR N N 115 110.456 110.456 110.199 0.257 18433 1818 1 4 . 1 1 115 115 THR HA H 115 4.406 4.406 4.622 -0.216 18433 1819 1 4 . 1 1 115 115 THR CA C 115 61.125 61.125 60.366 0.759 18433 1820 1 4 . 1 1 115 115 THR CB C 115 70.288 70.288 71.131 -0.843 18433 1821 1 4 . 1 1 115 115 THR H H 115 7.828 7.828 7.878 -0.050 18433 1822 1 4 . 1 1 116 116 LEU N N 116 123.832 123.832 121.526 2.306 18433 1823 1 4 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.575 -0.269 18433 1824 1 4 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.334 0.549 18433 1825 1 4 . 1 1 116 116 LEU CB C 116 42.795 42.795 44.420 -1.625 18433 1826 1 4 . 1 1 116 116 LEU H H 116 8.741 8.741 8.513 0.228 18433 1827 1 4 . 1 1 117 117 LYS N N 117 124.713 124.713 124.046 0.667 18433 1828 1 4 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.401 0.012 18433 1829 1 4 . 1 1 117 117 LYS CA C 117 55.551 55.551 56.038 -0.487 18433 1830 1 4 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.141 1.410 18433 1831 1 4 . 1 1 117 117 LYS H H 117 8.479 8.479 8.591 -0.112 18433 1832 1 4 . 1 1 118 118 VAL N N 118 122.419 122.419 122.009 0.410 18433 1833 1 4 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.628 -0.386 18433 1834 1 4 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.496 0.459 18433 1835 1 4 . 1 1 118 118 VAL CB C 118 32.837 32.837 32.453 0.384 18433 1836 1 4 . 1 1 118 118 VAL H H 118 8.268 8.268 8.380 -0.112 18433 1837 1 5 . 1 1 24 24 ALA N N 24 123.308 123.308 124.000 -0.692 18433 1838 1 5 . 1 1 24 24 ALA HA H 24 4.544 4.544 5.324 -0.780 18433 1839 1 5 . 1 1 24 24 ALA CA C 24 50.311 50.311 49.368 0.943 18433 1840 1 5 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.951 -1.354 18433 1841 1 5 . 1 1 24 24 ALA H H 24 7.820 7.820 8.075 -0.255 18433 1842 1 5 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.374 0.264 18433 1843 1 5 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.820 0.431 18433 1844 1 5 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.036 1.826 18433 1845 1 5 . 1 1 26 26 ASN N N 26 120.016 120.016 120.404 -0.388 18433 1846 1 5 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.542 -0.315 18433 1847 1 5 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.149 0.474 18433 1848 1 5 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.083 2.056 18433 1849 1 5 . 1 1 26 26 ASN H H 26 9.079 9.079 8.188 0.891 18433 1850 1 5 . 1 1 27 27 LEU N N 27 123.375 123.375 124.158 -0.783 18433 1851 1 5 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.539 -0.302 18433 1852 1 5 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.679 -1.377 18433 1853 1 5 . 1 1 27 27 LEU CB C 27 42.817 42.817 43.186 -0.369 18433 1854 1 5 . 1 1 27 27 LEU H H 27 8.098 8.098 8.631 -0.533 18433 1855 1 5 . 1 1 28 28 ALA N N 28 126.889 126.889 127.592 -0.703 18433 1856 1 5 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.966 -0.292 18433 1857 1 5 . 1 1 28 28 ALA CA C 28 52.381 52.381 52.671 -0.290 18433 1858 1 5 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.018 1.911 18433 1859 1 5 . 1 1 28 28 ALA H H 28 9.215 9.215 9.025 0.190 18433 1860 1 5 . 1 1 29 29 GLY N N 29 102.532 102.532 101.910 0.622 18433 1861 1 5 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.759 0.079 18433 1862 1 5 . 1 1 29 29 GLY H H 29 7.943 7.943 8.348 -0.405 18433 1863 1 5 . 1 1 30 30 ALA N N 30 125.002 125.002 121.788 3.214 18433 1864 1 5 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.726 -0.475 18433 1865 1 5 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.746 1.402 18433 1866 1 5 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.492 -1.058 18433 1867 1 5 . 1 1 30 30 ALA H H 30 8.040 8.040 7.514 0.526 18433 1868 1 5 . 1 1 31 31 VAL N N 31 119.492 119.492 124.739 -5.247 18433 1869 1 5 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.096 0.172 18433 1870 1 5 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.557 -1.160 18433 1871 1 5 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.776 2.182 18433 1872 1 5 . 1 1 31 31 VAL H H 31 8.415 8.415 8.662 -0.247 18433 1873 1 5 . 1 1 32 32 GLU N N 32 122.142 122.142 119.410 2.732 18433 1874 1 5 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.272 0.002 18433 1875 1 5 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.538 -0.342 18433 1876 1 5 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.236 -0.897 18433 1877 1 5 . 1 1 32 32 GLU H H 32 8.757 8.757 8.112 0.645 18433 1878 1 5 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.157 0.098 18433 1879 1 5 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.587 -0.251 18433 1880 1 5 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.193 -0.549 18433 1881 1 5 . 1 1 34 34 SER N N 34 112.028 112.028 112.747 -0.719 18433 1882 1 5 . 1 1 34 34 SER HA H 34 3.652 3.652 3.726 -0.074 18433 1883 1 5 . 1 1 34 34 SER CA C 34 61.642 61.642 61.370 0.272 18433 1884 1 5 . 1 1 34 34 SER CB C 34 61.807 61.807 62.227 -0.420 18433 1885 1 5 . 1 1 34 34 SER H H 34 8.902 8.902 8.446 0.456 18433 1886 1 5 . 1 1 35 35 ASP N N 35 121.321 121.321 120.461 0.860 18433 1887 1 5 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.427 0.071 18433 1888 1 5 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.411 0.149 18433 1889 1 5 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.558 0.669 18433 1890 1 5 . 1 1 35 35 ASP H H 35 6.930 6.930 7.453 -0.523 18433 1891 1 5 . 1 1 36 36 VAL N N 36 123.532 123.532 119.883 3.649 18433 1892 1 5 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.474 -0.226 18433 1893 1 5 . 1 1 36 36 VAL CA C 36 67.358 67.358 66.511 0.847 18433 1894 1 5 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.811 0.281 18433 1895 1 5 . 1 1 36 36 VAL H H 36 8.014 8.014 7.460 0.554 18433 1896 1 5 . 1 1 37 37 LYS N N 37 118.036 118.036 118.028 0.008 18433 1897 1 5 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.578 -0.111 18433 1898 1 5 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.366 0.883 18433 1899 1 5 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.454 0.855 18433 1900 1 5 . 1 1 37 37 LYS H H 37 8.384 8.384 7.745 0.639 18433 1901 1 5 . 1 1 38 38 THR N N 38 115.765 115.765 117.035 -1.270 18433 1902 1 5 . 1 1 38 38 THR HA H 38 3.872 3.872 4.030 -0.158 18433 1903 1 5 . 1 1 38 38 THR CA C 38 66.652 66.652 66.222 0.430 18433 1904 1 5 . 1 1 38 38 THR CB C 38 68.664 68.664 68.677 -0.013 18433 1905 1 5 . 1 1 38 38 THR H H 38 7.344 7.344 7.319 0.025 18433 1906 1 5 . 1 1 39 39 LEU N N 39 123.362 123.362 121.527 1.835 18433 1907 1 5 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.332 0.015 18433 1908 1 5 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.587 0.670 18433 1909 1 5 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.707 1.599 18433 1910 1 5 . 1 1 39 39 LEU H H 39 7.701 7.701 7.454 0.247 18433 1911 1 5 . 1 1 40 40 LEU N N 40 118.128 118.128 119.737 -1.609 18433 1912 1 5 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.159 0.216 18433 1913 1 5 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.251 0.060 18433 1914 1 5 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.453 1.335 18433 1915 1 5 . 1 1 40 40 LEU H H 40 8.434 8.434 7.649 0.785 18433 1916 1 5 . 1 1 41 41 LYS N N 41 117.838 117.838 119.345 -1.507 18433 1917 1 5 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.845 0.017 18433 1918 1 5 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.920 -0.024 18433 1919 1 5 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.617 -0.921 18433 1920 1 5 . 1 1 41 41 LYS H H 41 8.571 8.571 8.471 0.100 18433 1921 1 5 . 1 1 42 42 GLU N N 42 122.248 122.248 117.328 4.920 18433 1922 1 5 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.218 -0.327 18433 1923 1 5 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.260 1.686 18433 1924 1 5 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.379 0.224 18433 1925 1 5 . 1 1 42 42 GLU H H 42 8.276 8.276 7.856 0.420 18433 1926 1 5 . 1 1 43 43 TRP N N 43 123.115 123.115 121.901 1.214 18433 1927 1 5 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.467 -1.442 18433 1928 1 5 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.648 -1.843 18433 1929 1 5 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.439 -0.787 18433 1930 1 5 . 1 1 43 43 TRP H H 43 8.318 8.318 8.082 0.236 18433 1931 1 5 . 1 1 44 44 ILE N N 44 112.941 112.941 113.838 -0.897 18433 1932 1 5 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.411 -0.872 18433 1933 1 5 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.058 1.383 18433 1934 1 5 . 1 1 44 44 ILE CB C 44 38.393 38.393 37.920 0.473 18433 1935 1 5 . 1 1 44 44 ILE H H 44 7.567 7.567 7.506 0.061 18433 1936 1 5 . 1 1 45 45 THR N N 45 106.451 106.451 113.044 -6.593 18433 1937 1 5 . 1 1 45 45 THR HA H 45 4.080 4.080 4.232 -0.152 18433 1938 1 5 . 1 1 45 45 THR CA C 45 63.681 63.681 64.010 -0.329 18433 1939 1 5 . 1 1 45 45 THR CB C 45 70.147 70.147 69.278 0.869 18433 1940 1 5 . 1 1 45 45 THR H H 45 7.653 7.653 7.581 0.072 18433 1941 1 5 . 1 1 46 46 THR N N 46 110.600 110.600 116.051 -5.451 18433 1942 1 5 . 1 1 46 46 THR HA H 46 4.557 4.557 4.234 0.323 18433 1943 1 5 . 1 1 46 46 THR CA C 46 62.972 62.972 64.705 -1.733 18433 1944 1 5 . 1 1 46 46 THR CB C 46 71.039 71.039 69.169 1.870 18433 1945 1 5 . 1 1 46 46 THR H H 46 7.502 7.502 8.188 -0.686 18433 1946 1 5 . 1 1 47 47 ILE N N 47 124.370 124.370 121.391 2.979 18433 1947 1 5 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.338 0.135 18433 1948 1 5 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.261 -1.658 18433 1949 1 5 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.902 -4.401 18433 1950 1 5 . 1 1 47 47 ILE H H 47 7.533 7.533 7.303 0.230 18433 1951 1 5 . 1 1 48 48 SER N N 48 119.846 119.846 121.781 -1.935 18433 1952 1 5 . 1 1 48 48 SER HA H 48 4.498 4.498 4.755 -0.257 18433 1953 1 5 . 1 1 48 48 SER CA C 48 59.280 59.280 59.403 -0.123 18433 1954 1 5 . 1 1 48 48 SER CB C 48 63.813 63.813 64.370 -0.557 18433 1955 1 5 . 1 1 48 48 SER H H 48 8.423 8.423 8.669 -0.246 18433 1956 1 5 . 1 1 49 49 ASP N N 49 119.475 119.475 122.958 -3.483 18433 1957 1 5 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.740 0.059 18433 1958 1 5 . 1 1 49 49 ASP CA C 49 50.804 50.804 50.687 0.117 18433 1959 1 5 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.661 -0.180 18433 1960 1 5 . 1 1 49 49 ASP H H 49 7.298 7.298 8.059 -0.761 18433 1961 1 5 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.496 -0.328 18433 1962 1 5 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.694 -0.782 18433 1963 1 5 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.191 -0.444 18433 1964 1 5 . 1 1 51 51 MET N N 51 121.983 121.983 122.022 -0.039 18433 1965 1 5 . 1 1 51 51 MET HA H 51 4.492 4.492 4.600 -0.108 18433 1966 1 5 . 1 1 51 51 MET CA C 51 55.165 55.165 54.392 0.773 18433 1967 1 5 . 1 1 51 51 MET CB C 51 33.974 33.974 35.289 -1.315 18433 1968 1 5 . 1 1 51 51 MET H H 51 9.258 9.258 8.568 0.690 18433 1969 1 5 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.696 0.136 18433 1970 1 5 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.434 0.066 18433 1971 1 5 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.090 0.633 18433 1972 1 5 . 1 1 53 53 GLU N N 53 116.755 116.755 118.657 -1.902 18433 1973 1 5 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.050 0.015 18433 1974 1 5 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.611 0.560 18433 1975 1 5 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.629 1.015 18433 1976 1 5 . 1 1 53 53 GLU H H 53 9.834 9.834 8.751 1.083 18433 1977 1 5 . 1 1 54 54 ASP N N 54 117.972 117.972 119.146 -1.174 18433 1978 1 5 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.312 0.686 18433 1979 1 5 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.013 1.048 18433 1980 1 5 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.348 1.918 18433 1981 1 5 . 1 1 54 54 ASP H H 54 7.348 7.348 8.371 -1.023 18433 1982 1 5 . 1 1 55 55 ILE N N 55 122.004 122.004 120.078 1.926 18433 1983 1 5 . 1 1 55 55 ILE HA H 55 3.935 3.935 3.951 -0.016 18433 1984 1 5 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.613 1.918 18433 1985 1 5 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.103 0.036 18433 1986 1 5 . 1 1 55 55 ILE H H 55 8.081 8.081 8.023 0.058 18433 1987 1 5 . 1 1 56 56 LEU N N 56 117.547 117.547 120.584 -3.037 18433 1988 1 5 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.177 -0.027 18433 1989 1 5 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.023 -0.088 18433 1990 1 5 . 1 1 56 56 LEU CB C 56 40.977 40.977 41.643 -0.666 18433 1991 1 5 . 1 1 56 56 LEU H H 56 8.770 8.770 8.223 0.547 18433 1992 1 5 . 1 1 57 57 GLN N N 57 119.917 119.917 117.367 2.550 18433 1993 1 5 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.024 0.042 18433 1994 1 5 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.984 1.387 18433 1995 1 5 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.203 -0.262 18433 1996 1 5 . 1 1 57 57 GLN H H 57 7.734 7.734 7.882 -0.148 18433 1997 1 5 . 1 1 58 58 VAL N N 58 122.347 122.347 118.337 4.010 18433 1998 1 5 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.860 -0.245 18433 1999 1 5 . 1 1 58 58 VAL CA C 58 67.230 67.230 64.996 2.234 18433 2000 1 5 . 1 1 58 58 VAL CB C 58 31.272 31.272 30.800 0.472 18433 2001 1 5 . 1 1 58 58 VAL H H 58 7.727 7.727 7.438 0.289 18433 2002 1 5 . 1 1 59 59 VAL N N 59 121.131 121.131 121.626 -0.495 18433 2003 1 5 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.715 -0.309 18433 2004 1 5 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.434 1.614 18433 2005 1 5 . 1 1 59 59 VAL CB C 59 31.542 31.542 30.880 0.662 18433 2006 1 5 . 1 1 59 59 VAL H H 59 8.341 8.341 7.772 0.569 18433 2007 1 5 . 1 1 60 60 ARG N N 60 120.942 120.942 118.015 2.927 18433 2008 1 5 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.148 -0.033 18433 2009 1 5 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.385 0.028 18433 2010 1 5 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.535 0.206 18433 2011 1 5 . 1 1 60 60 ARG H H 60 8.457 8.457 7.839 0.618 18433 2012 1 5 . 1 1 61 61 TYR N N 61 120.718 120.718 121.702 -0.984 18433 2013 1 5 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.328 0.238 18433 2014 1 5 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.555 -0.801 18433 2015 1 5 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.567 -0.214 18433 2016 1 5 . 1 1 61 61 TYR H H 61 7.833 7.833 7.483 0.350 18433 2017 1 5 . 1 1 62 62 CYS N N 62 114.924 114.924 117.484 -2.560 18433 2018 1 5 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.965 -0.292 18433 2019 1 5 . 1 1 62 62 CYS CA C 62 64.281 64.281 63.717 0.564 18433 2020 1 5 . 1 1 62 62 CYS CB C 62 27.717 27.717 28.117 -0.400 18433 2021 1 5 . 1 1 62 62 CYS H H 62 8.079 8.079 8.561 -0.482 18433 2022 1 5 . 1 1 63 63 THR N N 63 114.103 114.103 113.601 0.502 18433 2023 1 5 . 1 1 63 63 THR HA H 63 3.852 3.852 3.986 -0.134 18433 2024 1 5 . 1 1 63 63 THR CA C 63 66.871 66.871 66.278 0.593 18433 2025 1 5 . 1 1 63 63 THR CB C 63 67.762 67.762 68.125 -0.363 18433 2026 1 5 . 1 1 63 63 THR H H 63 8.721 8.721 8.487 0.234 18433 2027 1 5 . 1 1 64 64 ASP N N 64 126.664 126.664 121.882 4.782 18433 2028 1 5 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.564 -0.143 18433 2029 1 5 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.802 0.982 18433 2030 1 5 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.135 -0.894 18433 2031 1 5 . 1 1 64 64 ASP H H 64 8.771 8.771 7.380 1.391 18433 2032 1 5 . 1 1 65 65 LEU N N 65 119.722 119.722 121.018 -1.296 18433 2033 1 5 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.943 -0.071 18433 2034 1 5 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.824 0.427 18433 2035 1 5 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.624 -0.134 18433 2036 1 5 . 1 1 65 65 LEU H H 65 7.850 7.850 7.421 0.429 18433 2037 1 5 . 1 1 66 66 ILE N N 66 119.189 119.189 119.726 -0.537 18433 2038 1 5 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.890 -0.492 18433 2039 1 5 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.930 0.268 18433 2040 1 5 . 1 1 66 66 ILE CB C 66 37.730 37.730 37.839 -0.109 18433 2041 1 5 . 1 1 66 66 ILE H H 66 7.636 7.636 7.448 0.188 18433 2042 1 5 . 1 1 67 67 GLU N N 67 123.166 123.166 118.641 4.525 18433 2043 1 5 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.104 -0.109 18433 2044 1 5 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.549 1.046 18433 2045 1 5 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.137 0.046 18433 2046 1 5 . 1 1 67 67 GLU H H 67 8.512 8.512 7.941 0.571 18433 2047 1 5 . 1 1 68 68 GLU N N 68 116.524 116.524 117.048 -0.524 18433 2048 1 5 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.270 0.025 18433 2049 1 5 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.516 -0.737 18433 2050 1 5 . 1 1 68 68 GLU CB C 68 29.535 29.535 29.960 -0.425 18433 2051 1 5 . 1 1 68 68 GLU H H 68 7.633 7.633 8.063 -0.430 18433 2052 1 5 . 1 1 69 69 LYS N N 69 116.625 116.625 115.037 1.588 18433 2053 1 5 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.104 -0.459 18433 2054 1 5 . 1 1 69 69 LYS CA C 69 57.369 57.369 56.979 0.390 18433 2055 1 5 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.437 0.363 18433 2056 1 5 . 1 1 69 69 LYS H H 69 8.066 8.066 7.841 0.225 18433 2057 1 5 . 1 1 70 70 ASP N N 70 122.727 122.727 118.576 4.151 18433 2058 1 5 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.889 0.151 18433 2059 1 5 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.195 -1.799 18433 2060 1 5 . 1 1 70 70 ASP CB C 70 38.761 38.761 40.964 -2.203 18433 2061 1 5 . 1 1 70 70 ASP H H 70 8.483 8.483 8.505 -0.022 18433 2062 1 5 . 1 1 71 71 LEU N N 71 119.712 119.712 120.344 -0.632 18433 2063 1 5 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.805 0.076 18433 2064 1 5 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.853 -1.341 18433 2065 1 5 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.176 -0.929 18433 2066 1 5 . 1 1 71 71 LEU H H 71 7.515 7.515 8.215 -0.700 18433 2067 1 5 . 1 1 72 72 GLU N N 72 121.320 121.320 119.818 1.502 18433 2068 1 5 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.867 0.181 18433 2069 1 5 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.456 0.050 18433 2070 1 5 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.273 0.046 18433 2071 1 5 . 1 1 72 72 GLU H H 72 8.561 8.561 8.598 -0.037 18433 2072 1 5 . 1 1 73 73 LYS N N 73 119.338 119.338 118.058 1.280 18433 2073 1 5 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.923 -0.186 18433 2074 1 5 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.327 1.181 18433 2075 1 5 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.293 0.076 18433 2076 1 5 . 1 1 73 73 LYS H H 73 7.448 7.448 7.641 -0.193 18433 2077 1 5 . 1 1 74 74 LEU N N 74 117.830 117.830 123.701 -5.871 18433 2078 1 5 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.058 -0.178 18433 2079 1 5 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.757 -0.814 18433 2080 1 5 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.821 -0.325 18433 2081 1 5 . 1 1 74 74 LEU H H 74 7.516 7.516 7.471 0.045 18433 2082 1 5 . 1 1 75 75 ASP N N 75 117.736 117.736 118.842 -1.106 18433 2083 1 5 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.394 -0.152 18433 2084 1 5 . 1 1 75 75 ASP CA C 75 57.852 57.852 58.271 -0.419 18433 2085 1 5 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.435 1.888 18433 2086 1 5 . 1 1 75 75 ASP H H 75 7.828 7.828 7.982 -0.154 18433 2087 1 5 . 1 1 76 76 LEU N N 76 116.254 116.254 119.867 -3.613 18433 2088 1 5 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.178 -0.268 18433 2089 1 5 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.843 0.114 18433 2090 1 5 . 1 1 76 76 LEU CB C 76 41.827 41.827 41.913 -0.086 18433 2091 1 5 . 1 1 76 76 LEU H H 76 7.454 7.454 7.289 0.165 18433 2092 1 5 . 1 1 77 77 VAL N N 77 120.653 120.653 119.086 1.567 18433 2093 1 5 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.908 0.056 18433 2094 1 5 . 1 1 77 77 VAL CA C 77 66.879 66.879 66.075 0.804 18433 2095 1 5 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.008 1.011 18433 2096 1 5 . 1 1 77 77 VAL H H 77 8.626 8.626 8.632 -0.006 18433 2097 1 5 . 1 1 78 78 ILE N N 78 122.189 122.189 120.713 1.476 18433 2098 1 5 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.990 -0.004 18433 2099 1 5 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.640 -0.800 18433 2100 1 5 . 1 1 78 78 ILE CB C 78 35.672 35.672 37.040 -1.368 18433 2101 1 5 . 1 1 78 78 ILE H H 78 8.755 8.755 9.041 -0.286 18433 2102 1 5 . 1 1 79 79 LYS N N 79 119.030 119.030 120.139 -1.109 18433 2103 1 5 . 1 1 79 79 LYS HA H 79 3.881 3.881 3.992 -0.111 18433 2104 1 5 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.929 1.509 18433 2105 1 5 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.585 1.037 18433 2106 1 5 . 1 1 79 79 LYS H H 79 8.413 8.413 7.892 0.521 18433 2107 1 5 . 1 1 80 80 TYR N N 80 121.226 121.226 121.630 -0.404 18433 2108 1 5 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.153 0.155 18433 2109 1 5 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.600 0.404 18433 2110 1 5 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.065 -0.054 18433 2111 1 5 . 1 1 80 80 TYR H H 80 8.205 8.205 7.918 0.287 18433 2112 1 5 . 1 1 81 81 MET N N 81 116.428 116.428 116.773 -0.345 18433 2113 1 5 . 1 1 81 81 MET HA H 81 3.711 3.711 4.011 -0.300 18433 2114 1 5 . 1 1 81 81 MET CA C 81 60.733 60.733 59.132 1.601 18433 2115 1 5 . 1 1 81 81 MET CB C 81 33.894 33.894 32.465 1.429 18433 2116 1 5 . 1 1 81 81 MET H H 81 8.578 8.578 8.608 -0.030 18433 2117 1 5 . 1 1 82 82 LYS N N 82 119.778 119.778 120.587 -0.809 18433 2118 1 5 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.393 -0.700 18433 2119 1 5 . 1 1 82 82 LYS CA C 82 59.983 59.983 59.998 -0.015 18433 2120 1 5 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.967 0.824 18433 2121 1 5 . 1 1 82 82 LYS H H 82 8.594 8.594 8.036 0.558 18433 2122 1 5 . 1 1 83 83 ARG N N 83 116.474 116.474 118.208 -1.734 18433 2123 1 5 . 1 1 83 83 ARG HA H 83 3.854 3.854 3.953 -0.099 18433 2124 1 5 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.828 -0.347 18433 2125 1 5 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.306 0.296 18433 2126 1 5 . 1 1 83 83 ARG H H 83 7.145 7.145 7.533 -0.388 18433 2127 1 5 . 1 1 84 84 LEU N N 84 116.576 116.576 120.867 -4.291 18433 2128 1 5 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.911 -0.083 18433 2129 1 5 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.141 -0.207 18433 2130 1 5 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.873 1.166 18433 2131 1 5 . 1 1 84 84 LEU H H 84 7.284 7.284 7.054 0.230 18433 2132 1 5 . 1 1 85 85 MET N N 85 115.841 115.841 115.860 -0.019 18433 2133 1 5 . 1 1 85 85 MET HA H 85 3.756 3.756 3.772 -0.016 18433 2134 1 5 . 1 1 85 85 MET CA C 85 59.260 59.260 58.269 0.991 18433 2135 1 5 . 1 1 85 85 MET CB C 85 32.487 32.487 32.579 -0.092 18433 2136 1 5 . 1 1 85 85 MET H H 85 8.683 8.683 8.167 0.516 18433 2137 1 5 . 1 1 86 86 GLN N N 86 114.640 114.640 114.351 0.289 18433 2138 1 5 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.112 0.249 18433 2139 1 5 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.775 -0.918 18433 2140 1 5 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.333 -1.703 18433 2141 1 5 . 1 1 86 86 GLN H H 86 7.513 7.513 8.129 -0.616 18433 2142 1 5 . 1 1 87 87 GLN N N 87 117.352 117.352 116.555 0.797 18433 2143 1 5 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.164 0.058 18433 2144 1 5 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.456 -0.122 18433 2145 1 5 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.748 0.391 18433 2146 1 5 . 1 1 87 87 GLN H H 87 7.277 7.277 7.460 -0.183 18433 2147 1 5 . 1 1 88 88 SER N N 88 113.778 113.778 117.026 -3.248 18433 2148 1 5 . 1 1 88 88 SER HA H 88 4.431 4.431 4.253 0.178 18433 2149 1 5 . 1 1 88 88 SER CA C 88 58.372 58.372 59.482 -1.110 18433 2150 1 5 . 1 1 88 88 SER CB C 88 63.525 63.525 63.610 -0.085 18433 2151 1 5 . 1 1 88 88 SER H H 88 7.482 7.482 7.582 -0.100 18433 2152 1 5 . 1 1 89 89 VAL N N 89 120.934 120.934 120.685 0.249 18433 2153 1 5 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.010 0.153 18433 2154 1 5 . 1 1 89 89 VAL CA C 89 62.661 62.661 63.925 -1.264 18433 2155 1 5 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.403 -0.431 18433 2156 1 5 . 1 1 89 89 VAL H H 89 8.188 8.188 8.610 -0.422 18433 2157 1 5 . 1 1 90 90 GLU N N 90 120.714 120.714 118.983 1.731 18433 2158 1 5 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.472 -0.031 18433 2159 1 5 . 1 1 90 90 GLU CA C 90 55.945 55.945 56.242 -0.297 18433 2160 1 5 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.854 -0.247 18433 2161 1 5 . 1 1 90 90 GLU H H 90 8.411 8.411 8.111 0.300 18433 2162 1 5 . 1 1 91 91 SER HA H 91 4.451 4.451 4.245 0.206 18433 2163 1 5 . 1 1 91 91 SER CA C 91 59.681 59.681 60.825 -1.145 18433 2164 1 5 . 1 1 91 91 SER CB C 91 63.893 63.893 63.288 0.605 18433 2165 1 5 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.723 0.289 18433 2166 1 5 . 1 1 92 92 VAL CA C 92 64.738 64.738 65.203 -0.465 18433 2167 1 5 . 1 1 92 92 VAL CB C 92 31.013 31.013 31.636 -0.623 18433 2168 1 5 . 1 1 93 93 TRP N N 93 121.614 121.614 118.710 2.904 18433 2169 1 5 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.309 0.190 18433 2170 1 5 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.780 -1.104 18433 2171 1 5 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.151 0.706 18433 2172 1 5 . 1 1 93 93 TRP H H 93 7.551 7.551 7.467 0.084 18433 2173 1 5 . 1 1 94 94 ASN N N 94 119.013 119.013 116.974 2.039 18433 2174 1 5 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.477 -0.082 18433 2175 1 5 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.929 0.309 18433 2176 1 5 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.541 0.206 18433 2177 1 5 . 1 1 94 94 ASN H H 94 7.794 7.794 8.299 -0.505 18433 2178 1 5 . 1 1 95 95 MET N N 95 117.158 117.158 118.535 -1.377 18433 2179 1 5 . 1 1 95 95 MET HA H 95 4.346 4.346 4.372 -0.026 18433 2180 1 5 . 1 1 95 95 MET CA C 95 58.445 58.445 58.627 -0.181 18433 2181 1 5 . 1 1 95 95 MET CB C 95 32.436 32.436 32.475 -0.039 18433 2182 1 5 . 1 1 95 95 MET H H 95 7.751 7.751 7.386 0.365 18433 2183 1 5 . 1 1 96 96 ALA N N 96 123.406 123.406 123.151 0.255 18433 2184 1 5 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.118 0.089 18433 2185 1 5 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.303 0.142 18433 2186 1 5 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.070 -0.566 18433 2187 1 5 . 1 1 96 96 ALA H H 96 7.920 7.920 7.689 0.231 18433 2188 1 5 . 1 1 97 97 PHE N N 97 117.830 117.830 119.080 -1.250 18433 2189 1 5 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.295 -0.091 18433 2190 1 5 . 1 1 97 97 PHE CA C 97 62.853 62.853 61.136 1.717 18433 2191 1 5 . 1 1 97 97 PHE CB C 97 38.147 38.147 38.985 -0.838 18433 2192 1 5 . 1 1 97 97 PHE H H 97 8.431 8.431 8.087 0.344 18433 2193 1 5 . 1 1 98 98 ASP N N 98 118.570 118.570 119.854 -1.284 18433 2194 1 5 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.121 0.127 18433 2195 1 5 . 1 1 98 98 ASP CA C 98 57.702 57.702 58.504 -0.802 18433 2196 1 5 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.771 -0.371 18433 2197 1 5 . 1 1 98 98 ASP H H 98 7.805 7.805 7.852 -0.047 18433 2198 1 5 . 1 1 99 99 PHE N N 99 119.874 119.874 120.959 -1.085 18433 2199 1 5 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.172 0.122 18433 2200 1 5 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.597 -0.414 18433 2201 1 5 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.348 0.134 18433 2202 1 5 . 1 1 99 99 PHE H H 99 7.920 7.920 8.128 -0.208 18433 2203 1 5 . 1 1 100 100 ILE N N 100 122.589 122.589 119.401 3.188 18433 2204 1 5 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.497 -0.094 18433 2205 1 5 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.438 0.659 18433 2206 1 5 . 1 1 100 100 ILE CB C 100 38.692 38.692 38.007 0.685 18433 2207 1 5 . 1 1 100 100 ILE H H 100 8.573 8.573 8.107 0.466 18433 2208 1 5 . 1 1 101 101 LEU N N 101 119.531 119.531 120.526 -0.995 18433 2209 1 5 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.798 -0.084 18433 2210 1 5 . 1 1 101 101 LEU CA C 101 57.998 57.998 57.895 0.103 18433 2211 1 5 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.343 -0.636 18433 2212 1 5 . 1 1 101 101 LEU H H 101 8.716 8.716 7.749 0.967 18433 2213 1 5 . 1 1 102 102 ASP N N 102 118.371 118.371 118.539 -0.168 18433 2214 1 5 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.330 -0.079 18433 2215 1 5 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.764 0.729 18433 2216 1 5 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.739 0.040 18433 2217 1 5 . 1 1 102 102 ASP H H 102 8.343 8.343 8.314 0.029 18433 2218 1 5 . 1 1 103 103 ASN N N 103 115.409 115.409 116.025 -0.616 18433 2219 1 5 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.618 -0.485 18433 2220 1 5 . 1 1 103 103 ASN CA C 103 57.079 57.079 55.208 1.871 18433 2221 1 5 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.143 -0.153 18433 2222 1 5 . 1 1 103 103 ASN H H 103 7.393 7.393 7.239 0.154 18433 2223 1 5 . 1 1 104 104 VAL N N 104 119.972 119.972 121.979 -2.007 18433 2224 1 5 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.731 -0.314 18433 2225 1 5 . 1 1 104 104 VAL CA C 104 66.949 66.949 66.770 0.179 18433 2226 1 5 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.351 0.471 18433 2227 1 5 . 1 1 104 104 VAL H H 104 8.299 8.299 8.466 -0.167 18433 2228 1 5 . 1 1 105 105 GLN N N 105 118.449 118.449 117.784 0.665 18433 2229 1 5 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.968 0.426 18433 2230 1 5 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.800 0.221 18433 2231 1 5 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.857 0.733 18433 2232 1 5 . 1 1 105 105 GLN H H 105 8.763 8.763 8.108 0.655 18433 2233 1 5 . 1 1 106 106 VAL N N 106 118.643 118.643 119.593 -0.950 18433 2234 1 5 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.780 -0.066 18433 2235 1 5 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.295 0.113 18433 2236 1 5 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.385 0.312 18433 2237 1 5 . 1 1 106 106 VAL H H 106 7.607 7.607 7.580 0.027 18433 2238 1 5 . 1 1 107 107 VAL N N 107 120.205 120.205 120.147 0.058 18433 2239 1 5 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.775 -0.046 18433 2240 1 5 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.209 1.164 18433 2241 1 5 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.754 -0.436 18433 2242 1 5 . 1 1 107 107 VAL H H 107 7.329 7.329 7.429 -0.100 18433 2243 1 5 . 1 1 108 108 LEU N N 108 123.706 123.706 118.986 4.720 18433 2244 1 5 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.232 -0.209 18433 2245 1 5 . 1 1 108 108 LEU CA C 108 58.902 58.902 58.048 0.854 18433 2246 1 5 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.581 0.393 18433 2247 1 5 . 1 1 108 108 LEU H H 108 8.742 8.742 8.362 0.380 18433 2248 1 5 . 1 1 109 109 GLN N N 109 119.622 119.622 118.972 0.650 18433 2249 1 5 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.136 -0.155 18433 2250 1 5 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.835 0.231 18433 2251 1 5 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.739 -0.472 18433 2252 1 5 . 1 1 109 109 GLN H H 109 8.456 8.456 7.897 0.559 18433 2253 1 5 . 1 1 110 110 GLN N N 110 117.492 117.492 117.520 -0.028 18433 2254 1 5 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.067 0.007 18433 2255 1 5 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.194 -0.118 18433 2256 1 5 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.570 0.122 18433 2257 1 5 . 1 1 110 110 GLN H H 110 8.060 8.060 7.872 0.188 18433 2258 1 5 . 1 1 111 111 THR N N 111 112.944 112.944 113.466 -0.522 18433 2259 1 5 . 1 1 111 111 THR HA H 111 4.017 4.017 4.041 -0.024 18433 2260 1 5 . 1 1 111 111 THR CA C 111 65.020 65.020 64.879 0.141 18433 2261 1 5 . 1 1 111 111 THR CB C 111 69.543 69.543 69.354 0.189 18433 2262 1 5 . 1 1 111 111 THR H H 111 7.934 7.934 7.434 0.500 18433 2263 1 5 . 1 1 112 112 TYR N N 112 118.273 118.273 117.574 0.699 18433 2264 1 5 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.648 0.049 18433 2265 1 5 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.843 -0.423 18433 2266 1 5 . 1 1 112 112 TYR CB C 112 40.341 40.341 39.531 0.811 18433 2267 1 5 . 1 1 112 112 TYR H H 112 8.404 8.404 8.348 0.056 18433 2268 1 5 . 1 1 113 113 GLY N N 113 109.593 109.593 106.239 3.354 18433 2269 1 5 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.062 0.947 18433 2270 1 5 . 1 1 113 113 GLY H H 113 7.990 7.990 8.003 -0.013 18433 2271 1 5 . 1 1 114 114 SER N N 114 113.965 113.965 115.332 -1.367 18433 2272 1 5 . 1 1 114 114 SER HA H 114 4.630 4.630 4.593 0.037 18433 2273 1 5 . 1 1 114 114 SER CA C 114 57.356 57.356 57.929 -0.573 18433 2274 1 5 . 1 1 114 114 SER CB C 114 64.543 64.543 64.804 -0.261 18433 2275 1 5 . 1 1 114 114 SER H H 114 7.636 7.636 7.922 -0.286 18433 2276 1 5 . 1 1 115 115 THR N N 115 110.456 110.456 108.795 1.661 18433 2277 1 5 . 1 1 115 115 THR HA H 115 4.406 4.406 4.564 -0.158 18433 2278 1 5 . 1 1 115 115 THR CA C 115 61.125 61.125 61.059 0.066 18433 2279 1 5 . 1 1 115 115 THR CB C 115 70.288 70.288 71.561 -1.274 18433 2280 1 5 . 1 1 115 115 THR H H 115 7.828 7.828 7.985 -0.157 18433 2281 1 5 . 1 1 116 116 LEU N N 116 123.832 123.832 122.062 1.770 18433 2282 1 5 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.498 -0.192 18433 2283 1 5 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.556 0.327 18433 2284 1 5 . 1 1 116 116 LEU CB C 116 42.795 42.795 43.803 -1.008 18433 2285 1 5 . 1 1 116 116 LEU H H 116 8.741 8.741 8.356 0.385 18433 2286 1 5 . 1 1 117 117 LYS N N 117 124.713 124.713 125.266 -0.553 18433 2287 1 5 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.362 0.051 18433 2288 1 5 . 1 1 117 117 LYS CA C 117 55.551 55.551 56.143 -0.592 18433 2289 1 5 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.194 1.357 18433 2290 1 5 . 1 1 117 117 LYS H H 117 8.479 8.479 8.591 -0.112 18433 2291 1 5 . 1 1 118 118 VAL N N 118 122.419 122.419 122.289 0.130 18433 2292 1 5 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.645 -0.403 18433 2293 1 5 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.592 0.363 18433 2294 1 5 . 1 1 118 118 VAL CB C 118 32.837 32.837 32.375 0.462 18433 2295 1 5 . 1 1 118 118 VAL H H 118 8.268 8.268 8.356 -0.088 18433 2296 1 6 . 1 1 24 24 ALA N N 24 123.308 123.308 124.396 -1.088 18433 2297 1 6 . 1 1 24 24 ALA HA H 24 4.544 4.544 5.288 -0.744 18433 2298 1 6 . 1 1 24 24 ALA CA C 24 50.311 50.311 49.269 1.042 18433 2299 1 6 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.617 -1.020 18433 2300 1 6 . 1 1 24 24 ALA H H 24 7.820 7.820 8.158 -0.338 18433 2301 1 6 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.360 0.278 18433 2302 1 6 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.863 0.388 18433 2303 1 6 . 1 1 25 25 PRO CB C 25 31.862 31.862 29.877 1.986 18433 2304 1 6 . 1 1 26 26 ASN N N 26 120.016 120.016 120.197 -0.181 18433 2305 1 6 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.440 -0.213 18433 2306 1 6 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.168 0.455 18433 2307 1 6 . 1 1 26 26 ASN CB C 26 44.139 44.139 41.902 2.237 18433 2308 1 6 . 1 1 26 26 ASN H H 26 9.079 9.079 8.223 0.856 18433 2309 1 6 . 1 1 27 27 LEU N N 27 123.375 123.375 124.683 -1.308 18433 2310 1 6 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.457 -0.220 18433 2311 1 6 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.259 -0.956 18433 2312 1 6 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.108 0.709 18433 2313 1 6 . 1 1 27 27 LEU H H 27 8.098 8.098 8.760 -0.662 18433 2314 1 6 . 1 1 28 28 ALA N N 28 126.889 126.889 130.600 -3.711 18433 2315 1 6 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.991 -0.317 18433 2316 1 6 . 1 1 28 28 ALA CA C 28 52.381 52.381 52.700 -0.320 18433 2317 1 6 . 1 1 28 28 ALA CB C 28 18.929 18.929 16.752 2.177 18433 2318 1 6 . 1 1 28 28 ALA H H 28 9.215 9.215 9.012 0.203 18433 2319 1 6 . 1 1 29 29 GLY N N 29 102.532 102.532 102.872 -0.340 18433 2320 1 6 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.794 0.044 18433 2321 1 6 . 1 1 29 29 GLY H H 29 7.943 7.943 8.410 -0.467 18433 2322 1 6 . 1 1 30 30 ALA N N 30 125.002 125.002 123.219 1.783 18433 2323 1 6 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.457 -0.206 18433 2324 1 6 . 1 1 30 30 ALA CA C 30 52.148 52.148 51.136 1.012 18433 2325 1 6 . 1 1 30 30 ALA CB C 30 19.434 19.434 19.719 -0.285 18433 2326 1 6 . 1 1 30 30 ALA H H 30 8.040 8.040 7.535 0.505 18433 2327 1 6 . 1 1 31 31 VAL N N 31 119.492 119.492 124.972 -5.480 18433 2328 1 6 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.166 0.102 18433 2329 1 6 . 1 1 31 31 VAL CA C 31 62.397 62.397 62.926 -0.529 18433 2330 1 6 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.553 2.405 18433 2331 1 6 . 1 1 31 31 VAL H H 31 8.415 8.415 8.552 -0.137 18433 2332 1 6 . 1 1 32 32 GLU N N 32 122.142 122.142 119.406 2.736 18433 2333 1 6 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.343 -0.069 18433 2334 1 6 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.310 -0.115 18433 2335 1 6 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.223 -0.884 18433 2336 1 6 . 1 1 32 32 GLU H H 32 8.757 8.757 8.041 0.716 18433 2337 1 6 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.179 0.076 18433 2338 1 6 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.484 -0.148 18433 2339 1 6 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.252 -0.608 18433 2340 1 6 . 1 1 34 34 SER N N 34 112.028 112.028 113.085 -1.057 18433 2341 1 6 . 1 1 34 34 SER HA H 34 3.652 3.652 3.689 -0.037 18433 2342 1 6 . 1 1 34 34 SER CA C 34 61.642 61.642 61.087 0.555 18433 2343 1 6 . 1 1 34 34 SER CB C 34 61.807 61.807 62.122 -0.315 18433 2344 1 6 . 1 1 34 34 SER H H 34 8.902 8.902 8.486 0.416 18433 2345 1 6 . 1 1 35 35 ASP N N 35 121.321 121.321 120.701 0.620 18433 2346 1 6 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.465 0.033 18433 2347 1 6 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.481 0.079 18433 2348 1 6 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.175 1.052 18433 2349 1 6 . 1 1 35 35 ASP H H 35 6.930 6.930 7.462 -0.532 18433 2350 1 6 . 1 1 36 36 VAL N N 36 123.532 123.532 119.811 3.721 18433 2351 1 6 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.566 -0.318 18433 2352 1 6 . 1 1 36 36 VAL CA C 36 67.358 67.358 64.833 2.525 18433 2353 1 6 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.321 0.771 18433 2354 1 6 . 1 1 36 36 VAL H H 36 8.014 8.014 7.542 0.472 18433 2355 1 6 . 1 1 37 37 LYS N N 37 118.036 118.036 118.135 -0.099 18433 2356 1 6 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.594 -0.127 18433 2357 1 6 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.415 0.834 18433 2358 1 6 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.426 0.883 18433 2359 1 6 . 1 1 37 37 LYS H H 37 8.384 8.384 7.815 0.569 18433 2360 1 6 . 1 1 38 38 THR N N 38 115.765 115.765 116.855 -1.090 18433 2361 1 6 . 1 1 38 38 THR HA H 38 3.872 3.872 4.067 -0.195 18433 2362 1 6 . 1 1 38 38 THR CA C 38 66.652 66.652 66.105 0.547 18433 2363 1 6 . 1 1 38 38 THR CB C 38 68.664 68.664 68.743 -0.079 18433 2364 1 6 . 1 1 38 38 THR H H 38 7.344 7.344 7.329 0.015 18433 2365 1 6 . 1 1 39 39 LEU N N 39 123.362 123.362 121.620 1.742 18433 2366 1 6 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.288 0.059 18433 2367 1 6 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.575 0.682 18433 2368 1 6 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.717 1.589 18433 2369 1 6 . 1 1 39 39 LEU H H 39 7.701 7.701 7.444 0.257 18433 2370 1 6 . 1 1 40 40 LEU N N 40 118.128 118.128 119.887 -1.759 18433 2371 1 6 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.134 0.241 18433 2372 1 6 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.291 0.020 18433 2373 1 6 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.456 1.332 18433 2374 1 6 . 1 1 40 40 LEU H H 40 8.434 8.434 7.995 0.439 18433 2375 1 6 . 1 1 41 41 LYS N N 41 117.838 117.838 119.264 -1.426 18433 2376 1 6 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.838 0.024 18433 2377 1 6 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.936 -0.040 18433 2378 1 6 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.611 -0.916 18433 2379 1 6 . 1 1 41 41 LYS H H 41 8.571 8.571 8.364 0.207 18433 2380 1 6 . 1 1 42 42 GLU N N 42 122.248 122.248 117.614 4.634 18433 2381 1 6 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.212 -0.321 18433 2382 1 6 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.322 1.623 18433 2383 1 6 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.274 0.329 18433 2384 1 6 . 1 1 42 42 GLU H H 42 8.276 8.276 7.804 0.472 18433 2385 1 6 . 1 1 43 43 TRP N N 43 123.115 123.115 121.839 1.276 18433 2386 1 6 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.464 -1.439 18433 2387 1 6 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.616 -1.811 18433 2388 1 6 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.408 -0.756 18433 2389 1 6 . 1 1 43 43 TRP H H 43 8.318 8.318 8.013 0.305 18433 2390 1 6 . 1 1 44 44 ILE N N 44 112.941 112.941 113.945 -1.004 18433 2391 1 6 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.555 -1.016 18433 2392 1 6 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.168 1.273 18433 2393 1 6 . 1 1 44 44 ILE CB C 44 38.393 38.393 37.986 0.407 18433 2394 1 6 . 1 1 44 44 ILE H H 44 7.567 7.567 7.481 0.086 18433 2395 1 6 . 1 1 45 45 THR N N 45 106.451 106.451 112.413 -5.962 18433 2396 1 6 . 1 1 45 45 THR HA H 45 4.080 4.080 4.289 -0.209 18433 2397 1 6 . 1 1 45 45 THR CA C 45 63.681 63.681 65.012 -1.331 18433 2398 1 6 . 1 1 45 45 THR CB C 45 70.147 70.147 68.999 1.148 18433 2399 1 6 . 1 1 45 45 THR H H 45 7.653 7.653 7.587 0.066 18433 2400 1 6 . 1 1 46 46 THR N N 46 110.600 110.600 116.796 -6.196 18433 2401 1 6 . 1 1 46 46 THR HA H 46 4.557 4.557 4.187 0.370 18433 2402 1 6 . 1 1 46 46 THR CA C 46 62.972 62.972 65.699 -2.727 18433 2403 1 6 . 1 1 46 46 THR CB C 46 71.039 71.039 69.309 1.730 18433 2404 1 6 . 1 1 46 46 THR H H 46 7.502 7.502 8.080 -0.578 18433 2405 1 6 . 1 1 47 47 ILE N N 47 124.370 124.370 120.962 3.408 18433 2406 1 6 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.320 0.153 18433 2407 1 6 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.554 -1.951 18433 2408 1 6 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.690 -4.189 18433 2409 1 6 . 1 1 47 47 ILE H H 47 7.533 7.533 7.349 0.184 18433 2410 1 6 . 1 1 48 48 SER N N 48 119.846 119.846 121.666 -1.820 18433 2411 1 6 . 1 1 48 48 SER HA H 48 4.498 4.498 4.767 -0.269 18433 2412 1 6 . 1 1 48 48 SER CA C 48 59.280 59.280 59.320 -0.040 18433 2413 1 6 . 1 1 48 48 SER CB C 48 63.813 63.813 64.433 -0.620 18433 2414 1 6 . 1 1 48 48 SER H H 48 8.423 8.423 8.626 -0.203 18433 2415 1 6 . 1 1 49 49 ASP N N 49 119.475 119.475 120.947 -1.472 18433 2416 1 6 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.723 0.076 18433 2417 1 6 . 1 1 49 49 ASP CA C 49 50.804 50.804 51.239 -0.435 18433 2418 1 6 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.500 -0.019 18433 2419 1 6 . 1 1 49 49 ASP H H 49 7.298 7.298 7.885 -0.587 18433 2420 1 6 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.469 -0.301 18433 2421 1 6 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.672 -0.760 18433 2422 1 6 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.583 -0.836 18433 2423 1 6 . 1 1 51 51 MET N N 51 121.983 121.983 120.804 1.179 18433 2424 1 6 . 1 1 51 51 MET HA H 51 4.492 4.492 4.731 -0.239 18433 2425 1 6 . 1 1 51 51 MET CA C 51 55.165 55.165 54.224 0.941 18433 2426 1 6 . 1 1 51 51 MET CB C 51 33.974 33.974 35.318 -1.344 18433 2427 1 6 . 1 1 51 51 MET H H 51 9.258 9.258 8.318 0.940 18433 2428 1 6 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.726 0.106 18433 2429 1 6 . 1 1 52 52 GLU CA C 52 60.499 60.499 59.849 0.650 18433 2430 1 6 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.578 0.145 18433 2431 1 6 . 1 1 53 53 GLU N N 53 116.755 116.755 118.749 -1.994 18433 2432 1 6 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.072 -0.007 18433 2433 1 6 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.975 0.196 18433 2434 1 6 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.778 0.866 18433 2435 1 6 . 1 1 53 53 GLU H H 53 9.834 9.834 8.593 1.241 18433 2436 1 6 . 1 1 54 54 ASP N N 54 117.972 117.972 119.790 -1.818 18433 2437 1 6 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.347 0.651 18433 2438 1 6 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.289 0.772 18433 2439 1 6 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.538 1.728 18433 2440 1 6 . 1 1 54 54 ASP H H 54 7.348 7.348 8.359 -1.011 18433 2441 1 6 . 1 1 55 55 ILE N N 55 122.004 122.004 119.601 2.403 18433 2442 1 6 . 1 1 55 55 ILE HA H 55 3.935 3.935 4.055 -0.120 18433 2443 1 6 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.632 1.899 18433 2444 1 6 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.085 0.054 18433 2445 1 6 . 1 1 55 55 ILE H H 55 8.081 8.081 8.159 -0.078 18433 2446 1 6 . 1 1 56 56 LEU N N 56 117.547 117.547 120.536 -2.989 18433 2447 1 6 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.218 -0.068 18433 2448 1 6 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.105 -0.170 18433 2449 1 6 . 1 1 56 56 LEU CB C 56 40.977 40.977 41.729 -0.752 18433 2450 1 6 . 1 1 56 56 LEU H H 56 8.770 8.770 7.684 1.086 18433 2451 1 6 . 1 1 57 57 GLN N N 57 119.917 119.917 117.160 2.757 18433 2452 1 6 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.045 0.021 18433 2453 1 6 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.481 1.890 18433 2454 1 6 . 1 1 57 57 GLN CB C 57 27.940 27.940 27.912 0.028 18433 2455 1 6 . 1 1 57 57 GLN H H 57 7.734 7.734 7.977 -0.243 18433 2456 1 6 . 1 1 58 58 VAL N N 58 122.347 122.347 118.389 3.958 18433 2457 1 6 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.797 -0.182 18433 2458 1 6 . 1 1 58 58 VAL CA C 58 67.230 67.230 65.450 1.780 18433 2459 1 6 . 1 1 58 58 VAL CB C 58 31.272 31.272 31.384 -0.112 18433 2460 1 6 . 1 1 58 58 VAL H H 58 7.727 7.727 7.351 0.376 18433 2461 1 6 . 1 1 59 59 VAL N N 59 121.131 121.131 121.539 -0.408 18433 2462 1 6 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.623 -0.217 18433 2463 1 6 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.887 1.161 18433 2464 1 6 . 1 1 59 59 VAL CB C 59 31.542 31.542 31.448 0.094 18433 2465 1 6 . 1 1 59 59 VAL H H 59 8.341 8.341 7.802 0.539 18433 2466 1 6 . 1 1 60 60 ARG N N 60 120.942 120.942 117.797 3.145 18433 2467 1 6 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.130 -0.015 18433 2468 1 6 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.363 0.050 18433 2469 1 6 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.475 0.266 18433 2470 1 6 . 1 1 60 60 ARG H H 60 8.457 8.457 7.790 0.667 18433 2471 1 6 . 1 1 61 61 TYR N N 61 120.718 120.718 121.769 -1.051 18433 2472 1 6 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.338 0.228 18433 2473 1 6 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.547 -0.793 18433 2474 1 6 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.505 -0.152 18433 2475 1 6 . 1 1 61 61 TYR H H 61 7.833 7.833 7.444 0.389 18433 2476 1 6 . 1 1 62 62 CYS N N 62 114.924 114.924 117.635 -2.711 18433 2477 1 6 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.975 -0.302 18433 2478 1 6 . 1 1 62 62 CYS CA C 62 64.281 64.281 64.023 0.258 18433 2479 1 6 . 1 1 62 62 CYS CB C 62 27.717 27.717 27.885 -0.168 18433 2480 1 6 . 1 1 62 62 CYS H H 62 8.079 8.079 8.479 -0.400 18433 2481 1 6 . 1 1 63 63 THR N N 63 114.103 114.103 114.107 -0.004 18433 2482 1 6 . 1 1 63 63 THR HA H 63 3.852 3.852 4.023 -0.171 18433 2483 1 6 . 1 1 63 63 THR CA C 63 66.871 66.871 65.628 1.243 18433 2484 1 6 . 1 1 63 63 THR CB C 63 67.762 67.762 67.754 0.008 18433 2485 1 6 . 1 1 63 63 THR H H 63 8.721 8.721 8.618 0.103 18433 2486 1 6 . 1 1 64 64 ASP N N 64 126.664 126.664 121.589 5.075 18433 2487 1 6 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.540 -0.119 18433 2488 1 6 . 1 1 64 64 ASP CA C 64 57.784 57.784 57.166 0.618 18433 2489 1 6 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.146 -0.905 18433 2490 1 6 . 1 1 64 64 ASP H H 64 8.771 8.771 7.448 1.323 18433 2491 1 6 . 1 1 65 65 LEU N N 65 119.722 119.722 121.174 -1.452 18433 2492 1 6 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.969 -0.097 18433 2493 1 6 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.924 0.327 18433 2494 1 6 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.511 -0.021 18433 2495 1 6 . 1 1 65 65 LEU H H 65 7.850 7.850 7.541 0.309 18433 2496 1 6 . 1 1 66 66 ILE N N 66 119.189 119.189 119.365 -0.176 18433 2497 1 6 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.842 -0.444 18433 2498 1 6 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.802 0.396 18433 2499 1 6 . 1 1 66 66 ILE CB C 66 37.730 37.730 38.029 -0.299 18433 2500 1 6 . 1 1 66 66 ILE H H 66 7.636 7.636 7.395 0.241 18433 2501 1 6 . 1 1 67 67 GLU N N 67 123.166 123.166 117.746 5.420 18433 2502 1 6 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.074 -0.079 18433 2503 1 6 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.324 1.271 18433 2504 1 6 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.454 -0.271 18433 2505 1 6 . 1 1 67 67 GLU H H 67 8.512 8.512 7.917 0.595 18433 2506 1 6 . 1 1 68 68 GLU N N 68 116.524 116.524 116.593 -0.069 18433 2507 1 6 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.316 -0.021 18433 2508 1 6 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.560 -0.782 18433 2509 1 6 . 1 1 68 68 GLU CB C 68 29.535 29.535 30.049 -0.514 18433 2510 1 6 . 1 1 68 68 GLU H H 68 7.633 7.633 8.071 -0.438 18433 2511 1 6 . 1 1 69 69 LYS N N 69 116.625 116.625 115.799 0.826 18433 2512 1 6 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.154 -0.509 18433 2513 1 6 . 1 1 69 69 LYS CA C 69 57.369 57.369 57.141 0.228 18433 2514 1 6 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.537 0.263 18433 2515 1 6 . 1 1 69 69 LYS H H 69 8.066 8.066 7.717 0.349 18433 2516 1 6 . 1 1 70 70 ASP N N 70 122.727 122.727 118.668 4.059 18433 2517 1 6 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.878 0.162 18433 2518 1 6 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.465 -2.069 18433 2519 1 6 . 1 1 70 70 ASP CB C 70 38.761 38.761 41.209 -2.448 18433 2520 1 6 . 1 1 70 70 ASP H H 70 8.483 8.483 8.456 0.027 18433 2521 1 6 . 1 1 71 71 LEU N N 71 119.712 119.712 119.951 -0.239 18433 2522 1 6 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.876 0.005 18433 2523 1 6 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.363 -0.851 18433 2524 1 6 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.120 -0.873 18433 2525 1 6 . 1 1 71 71 LEU H H 71 7.515 7.515 8.132 -0.617 18433 2526 1 6 . 1 1 72 72 GLU N N 72 121.320 121.320 119.620 1.700 18433 2527 1 6 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.879 0.169 18433 2528 1 6 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.332 0.174 18433 2529 1 6 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.038 0.281 18433 2530 1 6 . 1 1 72 72 GLU H H 72 8.561 8.561 8.516 0.045 18433 2531 1 6 . 1 1 73 73 LYS N N 73 119.338 119.338 117.863 1.475 18433 2532 1 6 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.908 -0.171 18433 2533 1 6 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.099 1.409 18433 2534 1 6 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.102 0.266 18433 2535 1 6 . 1 1 73 73 LYS H H 73 7.448 7.448 7.518 -0.070 18433 2536 1 6 . 1 1 74 74 LEU N N 74 117.830 117.830 123.788 -5.958 18433 2537 1 6 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.016 -0.136 18433 2538 1 6 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.637 -0.695 18433 2539 1 6 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.828 -0.332 18433 2540 1 6 . 1 1 74 74 LEU H H 74 7.516 7.516 7.484 0.032 18433 2541 1 6 . 1 1 75 75 ASP N N 75 117.736 117.736 118.591 -0.855 18433 2542 1 6 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.441 -0.199 18433 2543 1 6 . 1 1 75 75 ASP CA C 75 57.852 57.852 57.824 0.028 18433 2544 1 6 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.762 1.561 18433 2545 1 6 . 1 1 75 75 ASP H H 75 7.828 7.828 7.921 -0.093 18433 2546 1 6 . 1 1 76 76 LEU N N 76 116.254 116.254 120.142 -3.888 18433 2547 1 6 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.188 -0.278 18433 2548 1 6 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.692 0.265 18433 2549 1 6 . 1 1 76 76 LEU CB C 76 41.827 41.827 42.096 -0.269 18433 2550 1 6 . 1 1 76 76 LEU H H 76 7.454 7.454 7.341 0.113 18433 2551 1 6 . 1 1 77 77 VAL N N 77 120.653 120.653 119.895 0.758 18433 2552 1 6 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.771 0.193 18433 2553 1 6 . 1 1 77 77 VAL CA C 77 66.879 66.879 67.272 -0.393 18433 2554 1 6 . 1 1 77 77 VAL CB C 77 32.019 32.019 32.010 0.009 18433 2555 1 6 . 1 1 77 77 VAL H H 77 8.626 8.626 8.541 0.085 18433 2556 1 6 . 1 1 78 78 ILE N N 78 122.189 122.189 120.454 1.735 18433 2557 1 6 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.961 0.025 18433 2558 1 6 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.819 -0.979 18433 2559 1 6 . 1 1 78 78 ILE CB C 78 35.672 35.672 37.006 -1.334 18433 2560 1 6 . 1 1 78 78 ILE H H 78 8.755 8.755 8.757 -0.002 18433 2561 1 6 . 1 1 79 79 LYS N N 79 119.030 119.030 119.722 -0.692 18433 2562 1 6 . 1 1 79 79 LYS HA H 79 3.881 3.881 3.981 -0.100 18433 2563 1 6 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.983 1.455 18433 2564 1 6 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.497 1.125 18433 2565 1 6 . 1 1 79 79 LYS H H 79 8.413 8.413 7.807 0.606 18433 2566 1 6 . 1 1 80 80 TYR N N 80 121.226 121.226 121.794 -0.568 18433 2567 1 6 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.134 0.174 18433 2568 1 6 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.514 0.490 18433 2569 1 6 . 1 1 80 80 TYR CB C 80 39.011 39.011 38.926 0.085 18433 2570 1 6 . 1 1 80 80 TYR H H 80 8.205 8.205 7.805 0.400 18433 2571 1 6 . 1 1 81 81 MET N N 81 116.428 116.428 116.400 0.028 18433 2572 1 6 . 1 1 81 81 MET HA H 81 3.711 3.711 4.058 -0.347 18433 2573 1 6 . 1 1 81 81 MET CA C 81 60.733 60.733 59.059 1.674 18433 2574 1 6 . 1 1 81 81 MET CB C 81 33.894 33.894 32.545 1.349 18433 2575 1 6 . 1 1 81 81 MET H H 81 8.578 8.578 8.862 -0.284 18433 2576 1 6 . 1 1 82 82 LYS N N 82 119.778 119.778 120.914 -1.136 18433 2577 1 6 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.428 -0.735 18433 2578 1 6 . 1 1 82 82 LYS CA C 82 59.983 59.983 59.995 -0.012 18433 2579 1 6 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.960 0.831 18433 2580 1 6 . 1 1 82 82 LYS H H 82 8.594 8.594 8.004 0.590 18433 2581 1 6 . 1 1 83 83 ARG N N 83 116.474 116.474 118.157 -1.683 18433 2582 1 6 . 1 1 83 83 ARG HA H 83 3.854 3.854 3.943 -0.089 18433 2583 1 6 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.886 -0.405 18433 2584 1 6 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.325 0.278 18433 2585 1 6 . 1 1 83 83 ARG H H 83 7.145 7.145 7.640 -0.495 18433 2586 1 6 . 1 1 84 84 LEU N N 84 116.576 116.576 120.710 -4.134 18433 2587 1 6 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.936 -0.108 18433 2588 1 6 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.126 -0.192 18433 2589 1 6 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.867 1.172 18433 2590 1 6 . 1 1 84 84 LEU H H 84 7.284 7.284 7.058 0.226 18433 2591 1 6 . 1 1 85 85 MET N N 85 115.841 115.841 116.282 -0.441 18433 2592 1 6 . 1 1 85 85 MET HA H 85 3.756 3.756 3.704 0.052 18433 2593 1 6 . 1 1 85 85 MET CA C 85 59.260 59.260 58.291 0.969 18433 2594 1 6 . 1 1 85 85 MET CB C 85 32.487 32.487 32.478 0.008 18433 2595 1 6 . 1 1 85 85 MET H H 85 8.683 8.683 8.190 0.493 18433 2596 1 6 . 1 1 86 86 GLN N N 86 114.640 114.640 114.412 0.228 18433 2597 1 6 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.138 0.223 18433 2598 1 6 . 1 1 86 86 GLN CA C 86 56.857 56.857 58.043 -1.186 18433 2599 1 6 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.199 -1.569 18433 2600 1 6 . 1 1 86 86 GLN H H 86 7.513 7.513 8.179 -0.666 18433 2601 1 6 . 1 1 87 87 GLN N N 87 117.352 117.352 117.176 0.176 18433 2602 1 6 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.191 0.031 18433 2603 1 6 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.447 -0.113 18433 2604 1 6 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.746 0.393 18433 2605 1 6 . 1 1 87 87 GLN H H 87 7.277 7.277 7.568 -0.291 18433 2606 1 6 . 1 1 88 88 SER N N 88 113.778 113.778 117.226 -3.448 18433 2607 1 6 . 1 1 88 88 SER HA H 88 4.431 4.431 4.278 0.153 18433 2608 1 6 . 1 1 88 88 SER CA C 88 58.372 58.372 59.635 -1.263 18433 2609 1 6 . 1 1 88 88 SER CB C 88 63.525 63.525 63.618 -0.093 18433 2610 1 6 . 1 1 88 88 SER H H 88 7.482 7.482 7.617 -0.135 18433 2611 1 6 . 1 1 89 89 VAL N N 89 120.934 120.934 121.313 -0.379 18433 2612 1 6 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.023 0.140 18433 2613 1 6 . 1 1 89 89 VAL CA C 89 62.661 62.661 64.229 -1.568 18433 2614 1 6 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.308 -0.336 18433 2615 1 6 . 1 1 89 89 VAL H H 89 8.188 8.188 8.526 -0.338 18433 2616 1 6 . 1 1 90 90 GLU N N 90 120.714 120.714 118.962 1.752 18433 2617 1 6 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.420 0.021 18433 2618 1 6 . 1 1 90 90 GLU CA C 90 55.945 55.945 56.075 -0.130 18433 2619 1 6 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.648 -0.041 18433 2620 1 6 . 1 1 90 90 GLU H H 90 8.411 8.411 8.025 0.386 18433 2621 1 6 . 1 1 91 91 SER HA H 91 4.451 4.451 4.333 0.118 18433 2622 1 6 . 1 1 91 91 SER CA C 91 59.681 59.681 60.590 -0.909 18433 2623 1 6 . 1 1 91 91 SER CB C 91 63.893 63.893 63.249 0.644 18433 2624 1 6 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.686 0.326 18433 2625 1 6 . 1 1 92 92 VAL CA C 92 64.738 64.738 65.258 -0.520 18433 2626 1 6 . 1 1 92 92 VAL CB C 92 31.013 31.013 31.308 -0.295 18433 2627 1 6 . 1 1 93 93 TRP N N 93 121.614 121.614 119.318 2.296 18433 2628 1 6 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.290 0.209 18433 2629 1 6 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.310 -0.634 18433 2630 1 6 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.172 0.685 18433 2631 1 6 . 1 1 93 93 TRP H H 93 7.551 7.551 7.454 0.097 18433 2632 1 6 . 1 1 94 94 ASN N N 94 119.013 119.013 116.687 2.326 18433 2633 1 6 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.457 -0.062 18433 2634 1 6 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.841 0.397 18433 2635 1 6 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.514 0.234 18433 2636 1 6 . 1 1 94 94 ASN H H 94 7.794 7.794 8.274 -0.480 18433 2637 1 6 . 1 1 95 95 MET N N 95 117.158 117.158 118.779 -1.621 18433 2638 1 6 . 1 1 95 95 MET HA H 95 4.346 4.346 4.374 -0.028 18433 2639 1 6 . 1 1 95 95 MET CA C 95 58.445 58.445 58.549 -0.104 18433 2640 1 6 . 1 1 95 95 MET CB C 95 32.436 32.436 32.551 -0.115 18433 2641 1 6 . 1 1 95 95 MET H H 95 7.751 7.751 7.534 0.217 18433 2642 1 6 . 1 1 96 96 ALA N N 96 123.406 123.406 123.304 0.102 18433 2643 1 6 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.138 0.069 18433 2644 1 6 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.346 0.099 18433 2645 1 6 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.138 -0.633 18433 2646 1 6 . 1 1 96 96 ALA H H 96 7.920 7.920 7.744 0.176 18433 2647 1 6 . 1 1 97 97 PHE N N 97 117.830 117.830 119.048 -1.218 18433 2648 1 6 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.287 -0.083 18433 2649 1 6 . 1 1 97 97 PHE CA C 97 62.853 62.853 61.148 1.706 18433 2650 1 6 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.087 -0.939 18433 2651 1 6 . 1 1 97 97 PHE H H 97 8.431 8.431 8.174 0.257 18433 2652 1 6 . 1 1 98 98 ASP N N 98 118.570 118.570 119.701 -1.131 18433 2653 1 6 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.140 0.108 18433 2654 1 6 . 1 1 98 98 ASP CA C 98 57.702 57.702 56.773 0.930 18433 2655 1 6 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.637 -0.237 18433 2656 1 6 . 1 1 98 98 ASP H H 98 7.805 7.805 7.871 -0.066 18433 2657 1 6 . 1 1 99 99 PHE N N 99 119.874 119.874 120.870 -0.996 18433 2658 1 6 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.153 0.141 18433 2659 1 6 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.706 -0.523 18433 2660 1 6 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.206 0.276 18433 2661 1 6 . 1 1 99 99 PHE H H 99 7.920 7.920 8.112 -0.192 18433 2662 1 6 . 1 1 100 100 ILE N N 100 122.589 122.589 119.326 3.263 18433 2663 1 6 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.479 -0.076 18433 2664 1 6 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.491 0.606 18433 2665 1 6 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.992 0.700 18433 2666 1 6 . 1 1 100 100 ILE H H 100 8.573 8.573 8.046 0.527 18433 2667 1 6 . 1 1 101 101 LEU N N 101 119.531 119.531 120.586 -1.055 18433 2668 1 6 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.790 -0.076 18433 2669 1 6 . 1 1 101 101 LEU CA C 101 57.998 57.998 57.955 0.043 18433 2670 1 6 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.275 -0.568 18433 2671 1 6 . 1 1 101 101 LEU H H 101 8.716 8.716 7.637 1.079 18433 2672 1 6 . 1 1 102 102 ASP N N 102 118.371 118.371 118.813 -0.442 18433 2673 1 6 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.348 -0.097 18433 2674 1 6 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.675 0.818 18433 2675 1 6 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.592 0.187 18433 2676 1 6 . 1 1 102 102 ASP H H 102 8.343 8.343 8.251 0.092 18433 2677 1 6 . 1 1 103 103 ASN N N 103 115.409 115.409 116.013 -0.604 18433 2678 1 6 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.614 -0.481 18433 2679 1 6 . 1 1 103 103 ASN CA C 103 57.079 57.079 55.102 1.978 18433 2680 1 6 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.121 -0.131 18433 2681 1 6 . 1 1 103 103 ASN H H 103 7.393 7.393 7.244 0.149 18433 2682 1 6 . 1 1 104 104 VAL N N 104 119.972 119.972 122.196 -2.224 18433 2683 1 6 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.687 -0.270 18433 2684 1 6 . 1 1 104 104 VAL CA C 104 66.949 66.949 67.047 -0.098 18433 2685 1 6 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.811 0.011 18433 2686 1 6 . 1 1 104 104 VAL H H 104 8.299 8.299 8.564 -0.265 18433 2687 1 6 . 1 1 105 105 GLN N N 105 118.449 118.449 118.047 0.402 18433 2688 1 6 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.955 0.439 18433 2689 1 6 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.855 0.165 18433 2690 1 6 . 1 1 105 105 GLN CB C 105 28.590 28.590 28.021 0.569 18433 2691 1 6 . 1 1 105 105 GLN H H 105 8.763 8.763 8.065 0.698 18433 2692 1 6 . 1 1 106 106 VAL N N 106 118.643 118.643 119.955 -1.312 18433 2693 1 6 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.743 -0.029 18433 2694 1 6 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.022 0.385 18433 2695 1 6 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.489 0.208 18433 2696 1 6 . 1 1 106 106 VAL H H 106 7.607 7.607 7.650 -0.043 18433 2697 1 6 . 1 1 107 107 VAL N N 107 120.205 120.205 119.601 0.604 18433 2698 1 6 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.662 0.067 18433 2699 1 6 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.794 0.579 18433 2700 1 6 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.820 -0.502 18433 2701 1 6 . 1 1 107 107 VAL H H 107 7.329 7.329 7.279 0.050 18433 2702 1 6 . 1 1 108 108 LEU N N 108 123.706 123.706 119.359 4.347 18433 2703 1 6 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.191 -0.168 18433 2704 1 6 . 1 1 108 108 LEU CA C 108 58.902 58.902 58.204 0.698 18433 2705 1 6 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.527 0.448 18433 2706 1 6 . 1 1 108 108 LEU H H 108 8.742 8.742 8.458 0.284 18433 2707 1 6 . 1 1 109 109 GLN N N 109 119.622 119.622 119.052 0.570 18433 2708 1 6 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.139 -0.158 18433 2709 1 6 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.837 0.229 18433 2710 1 6 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.781 -0.514 18433 2711 1 6 . 1 1 109 109 GLN H H 109 8.456 8.456 7.841 0.615 18433 2712 1 6 . 1 1 110 110 GLN N N 110 117.492 117.492 117.074 0.418 18433 2713 1 6 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.080 -0.006 18433 2714 1 6 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.209 -0.133 18433 2715 1 6 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.599 0.094 18433 2716 1 6 . 1 1 110 110 GLN H H 110 8.060 8.060 7.862 0.198 18433 2717 1 6 . 1 1 111 111 THR N N 111 112.944 112.944 113.415 -0.471 18433 2718 1 6 . 1 1 111 111 THR HA H 111 4.017 4.017 4.043 -0.026 18433 2719 1 6 . 1 1 111 111 THR CA C 111 65.020 65.020 64.596 0.424 18433 2720 1 6 . 1 1 111 111 THR CB C 111 69.543 69.543 69.744 -0.201 18433 2721 1 6 . 1 1 111 111 THR H H 111 7.934 7.934 7.394 0.540 18433 2722 1 6 . 1 1 112 112 TYR N N 112 118.273 118.273 117.973 0.300 18433 2723 1 6 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.589 0.108 18433 2724 1 6 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.981 -0.561 18433 2725 1 6 . 1 1 112 112 TYR CB C 112 40.341 40.341 39.567 0.774 18433 2726 1 6 . 1 1 112 112 TYR H H 112 8.404 8.404 8.382 0.022 18433 2727 1 6 . 1 1 113 113 GLY N N 113 109.593 109.593 105.448 4.145 18433 2728 1 6 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.093 0.916 18433 2729 1 6 . 1 1 113 113 GLY H H 113 7.990 7.990 7.854 0.136 18433 2730 1 6 . 1 1 114 114 SER N N 114 113.965 113.965 115.276 -1.311 18433 2731 1 6 . 1 1 114 114 SER HA H 114 4.630 4.630 4.627 0.003 18433 2732 1 6 . 1 1 114 114 SER CA C 114 57.356 57.356 57.156 0.200 18433 2733 1 6 . 1 1 114 114 SER CB C 114 64.543 64.543 63.913 0.629 18433 2734 1 6 . 1 1 114 114 SER H H 114 7.636 7.636 8.035 -0.399 18433 2735 1 6 . 1 1 115 115 THR N N 115 110.456 110.456 110.062 0.394 18433 2736 1 6 . 1 1 115 115 THR HA H 115 4.406 4.406 4.563 -0.157 18433 2737 1 6 . 1 1 115 115 THR CA C 115 61.125 61.125 60.969 0.156 18433 2738 1 6 . 1 1 115 115 THR CB C 115 70.288 70.288 71.265 -0.977 18433 2739 1 6 . 1 1 115 115 THR H H 115 7.828 7.828 7.993 -0.165 18433 2740 1 6 . 1 1 116 116 LEU N N 116 123.832 123.832 121.916 1.916 18433 2741 1 6 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.532 -0.226 18433 2742 1 6 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.346 0.536 18433 2743 1 6 . 1 1 116 116 LEU CB C 116 42.795 42.795 44.249 -1.454 18433 2744 1 6 . 1 1 116 116 LEU H H 116 8.741 8.741 8.425 0.316 18433 2745 1 6 . 1 1 117 117 LYS N N 117 124.713 124.713 125.833 -1.120 18433 2746 1 6 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.309 0.104 18433 2747 1 6 . 1 1 117 117 LYS CA C 117 55.551 55.551 56.191 -0.639 18433 2748 1 6 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.150 1.401 18433 2749 1 6 . 1 1 117 117 LYS H H 117 8.479 8.479 8.619 -0.140 18433 2750 1 6 . 1 1 118 118 VAL N N 118 122.419 122.419 122.107 0.312 18433 2751 1 6 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.629 -0.387 18433 2752 1 6 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.331 0.624 18433 2753 1 6 . 1 1 118 118 VAL CB C 118 32.837 32.837 32.533 0.304 18433 2754 1 6 . 1 1 118 118 VAL H H 118 8.268 8.268 8.282 -0.014 18433 2755 1 7 . 1 1 24 24 ALA N N 24 123.308 123.308 123.853 -0.545 18433 2756 1 7 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.734 -0.190 18433 2757 1 7 . 1 1 24 24 ALA CA C 24 50.311 50.311 49.953 0.358 18433 2758 1 7 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.044 -0.447 18433 2759 1 7 . 1 1 24 24 ALA H H 24 7.820 7.820 8.259 -0.439 18433 2760 1 7 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.358 0.280 18433 2761 1 7 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.982 0.269 18433 2762 1 7 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.320 1.542 18433 2763 1 7 . 1 1 26 26 ASN N N 26 120.016 120.016 121.041 -1.025 18433 2764 1 7 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.478 -0.251 18433 2765 1 7 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.221 0.402 18433 2766 1 7 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.279 1.860 18433 2767 1 7 . 1 1 26 26 ASN H H 26 9.079 9.079 8.148 0.931 18433 2768 1 7 . 1 1 27 27 LEU N N 27 123.375 123.375 124.057 -0.682 18433 2769 1 7 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.456 -0.219 18433 2770 1 7 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.210 -0.907 18433 2771 1 7 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.749 0.068 18433 2772 1 7 . 1 1 27 27 LEU H H 27 8.098 8.098 8.522 -0.424 18433 2773 1 7 . 1 1 28 28 ALA N N 28 126.889 126.889 129.510 -2.621 18433 2774 1 7 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.957 -0.283 18433 2775 1 7 . 1 1 28 28 ALA CA C 28 52.381 52.381 52.620 -0.239 18433 2776 1 7 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.051 1.878 18433 2777 1 7 . 1 1 28 28 ALA H H 28 9.215 9.215 9.011 0.204 18433 2778 1 7 . 1 1 29 29 GLY N N 29 102.532 102.532 101.715 0.817 18433 2779 1 7 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.718 0.121 18433 2780 1 7 . 1 1 29 29 GLY H H 29 7.943 7.943 8.315 -0.372 18433 2781 1 7 . 1 1 30 30 ALA N N 30 125.002 125.002 122.092 2.910 18433 2782 1 7 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.822 -0.571 18433 2783 1 7 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.610 1.538 18433 2784 1 7 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.279 -0.845 18433 2785 1 7 . 1 1 30 30 ALA H H 30 8.040 8.040 7.620 0.420 18433 2786 1 7 . 1 1 31 31 VAL N N 31 119.492 119.492 124.774 -5.282 18433 2787 1 7 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.077 0.191 18433 2788 1 7 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.790 -1.393 18433 2789 1 7 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.539 2.419 18433 2790 1 7 . 1 1 31 31 VAL H H 31 8.415 8.415 8.635 -0.220 18433 2791 1 7 . 1 1 32 32 GLU N N 32 122.142 122.142 119.038 3.104 18433 2792 1 7 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.296 -0.022 18433 2793 1 7 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.255 -0.059 18433 2794 1 7 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.350 -1.011 18433 2795 1 7 . 1 1 32 32 GLU H H 32 8.757 8.757 7.903 0.854 18433 2796 1 7 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.218 0.037 18433 2797 1 7 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.486 -0.150 18433 2798 1 7 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.302 -0.658 18433 2799 1 7 . 1 1 34 34 SER N N 34 112.028 112.028 113.390 -1.362 18433 2800 1 7 . 1 1 34 34 SER HA H 34 3.652 3.652 3.671 -0.019 18433 2801 1 7 . 1 1 34 34 SER CA C 34 61.642 61.642 61.217 0.425 18433 2802 1 7 . 1 1 34 34 SER CB C 34 61.807 61.807 62.046 -0.239 18433 2803 1 7 . 1 1 34 34 SER H H 34 8.902 8.902 8.597 0.305 18433 2804 1 7 . 1 1 35 35 ASP N N 35 121.321 121.321 120.132 1.189 18433 2805 1 7 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.467 0.031 18433 2806 1 7 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.023 0.537 18433 2807 1 7 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.350 0.877 18433 2808 1 7 . 1 1 35 35 ASP H H 35 6.930 6.930 8.369 -1.439 18433 2809 1 7 . 1 1 36 36 VAL N N 36 123.532 123.532 119.845 3.687 18433 2810 1 7 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.445 -0.197 18433 2811 1 7 . 1 1 36 36 VAL CA C 36 67.358 67.358 66.497 0.861 18433 2812 1 7 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.848 0.244 18433 2813 1 7 . 1 1 36 36 VAL H H 36 8.014 8.014 7.420 0.594 18433 2814 1 7 . 1 1 37 37 LYS N N 37 118.036 118.036 117.865 0.171 18433 2815 1 7 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.582 -0.115 18433 2816 1 7 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.271 0.978 18433 2817 1 7 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.472 0.837 18433 2818 1 7 . 1 1 37 37 LYS H H 37 8.384 8.384 7.781 0.603 18433 2819 1 7 . 1 1 38 38 THR N N 38 115.765 115.765 116.476 -0.711 18433 2820 1 7 . 1 1 38 38 THR HA H 38 3.872 3.872 4.087 -0.215 18433 2821 1 7 . 1 1 38 38 THR CA C 38 66.652 66.652 66.470 0.182 18433 2822 1 7 . 1 1 38 38 THR CB C 38 68.664 68.664 68.608 0.056 18433 2823 1 7 . 1 1 38 38 THR H H 38 7.344 7.344 7.379 -0.035 18433 2824 1 7 . 1 1 39 39 LEU N N 39 123.362 123.362 121.600 1.762 18433 2825 1 7 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.428 -0.081 18433 2826 1 7 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.517 0.740 18433 2827 1 7 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.793 1.513 18433 2828 1 7 . 1 1 39 39 LEU H H 39 7.701 7.701 7.363 0.338 18433 2829 1 7 . 1 1 40 40 LEU N N 40 118.128 118.128 119.757 -1.629 18433 2830 1 7 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.186 0.189 18433 2831 1 7 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.201 0.110 18433 2832 1 7 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.438 1.350 18433 2833 1 7 . 1 1 40 40 LEU H H 40 8.434 8.434 7.880 0.554 18433 2834 1 7 . 1 1 41 41 LYS N N 41 117.838 117.838 119.494 -1.656 18433 2835 1 7 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.840 0.022 18433 2836 1 7 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.977 -0.081 18433 2837 1 7 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.625 -0.929 18433 2838 1 7 . 1 1 41 41 LYS H H 41 8.571 8.571 8.446 0.125 18433 2839 1 7 . 1 1 42 42 GLU N N 42 122.248 122.248 117.252 4.996 18433 2840 1 7 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.214 -0.323 18433 2841 1 7 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.257 1.689 18433 2842 1 7 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.338 0.265 18433 2843 1 7 . 1 1 42 42 GLU H H 42 8.276 8.276 7.763 0.513 18433 2844 1 7 . 1 1 43 43 TRP N N 43 123.115 123.115 121.906 1.209 18433 2845 1 7 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.460 -1.435 18433 2846 1 7 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.590 -1.785 18433 2847 1 7 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.385 -0.733 18433 2848 1 7 . 1 1 43 43 TRP H H 43 8.318 8.318 8.015 0.303 18433 2849 1 7 . 1 1 44 44 ILE N N 44 112.941 112.941 113.907 -0.966 18433 2850 1 7 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.527 -0.988 18433 2851 1 7 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.076 1.365 18433 2852 1 7 . 1 1 44 44 ILE CB C 44 38.393 38.393 38.048 0.345 18433 2853 1 7 . 1 1 44 44 ILE H H 44 7.567 7.567 7.443 0.124 18433 2854 1 7 . 1 1 45 45 THR N N 45 106.451 106.451 112.950 -6.499 18433 2855 1 7 . 1 1 45 45 THR HA H 45 4.080 4.080 4.283 -0.203 18433 2856 1 7 . 1 1 45 45 THR CA C 45 63.681 63.681 64.228 -0.547 18433 2857 1 7 . 1 1 45 45 THR CB C 45 70.147 70.147 69.413 0.734 18433 2858 1 7 . 1 1 45 45 THR H H 45 7.653 7.653 7.574 0.079 18433 2859 1 7 . 1 1 46 46 THR N N 46 110.600 110.600 116.164 -5.564 18433 2860 1 7 . 1 1 46 46 THR HA H 46 4.557 4.557 4.268 0.289 18433 2861 1 7 . 1 1 46 46 THR CA C 46 62.972 62.972 64.545 -1.573 18433 2862 1 7 . 1 1 46 46 THR CB C 46 71.039 71.039 69.361 1.678 18433 2863 1 7 . 1 1 46 46 THR H H 46 7.502 7.502 8.204 -0.702 18433 2864 1 7 . 1 1 47 47 ILE N N 47 124.370 124.370 121.266 3.104 18433 2865 1 7 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.358 0.115 18433 2866 1 7 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.714 -2.111 18433 2867 1 7 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.655 -4.154 18433 2868 1 7 . 1 1 47 47 ILE H H 47 7.533 7.533 7.390 0.143 18433 2869 1 7 . 1 1 48 48 SER N N 48 119.846 119.846 121.280 -1.434 18433 2870 1 7 . 1 1 48 48 SER HA H 48 4.498 4.498 4.650 -0.152 18433 2871 1 7 . 1 1 48 48 SER CA C 48 59.280 59.280 59.051 0.229 18433 2872 1 7 . 1 1 48 48 SER CB C 48 63.813 63.813 64.501 -0.688 18433 2873 1 7 . 1 1 48 48 SER H H 48 8.423 8.423 8.760 -0.337 18433 2874 1 7 . 1 1 49 49 ASP N N 49 119.475 119.475 121.091 -1.616 18433 2875 1 7 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.746 0.053 18433 2876 1 7 . 1 1 49 49 ASP CA C 49 50.804 50.804 51.331 -0.527 18433 2877 1 7 . 1 1 49 49 ASP CB C 49 41.481 41.481 40.927 0.554 18433 2878 1 7 . 1 1 49 49 ASP H H 49 7.298 7.298 8.116 -0.818 18433 2879 1 7 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.518 -0.350 18433 2880 1 7 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.644 -0.732 18433 2881 1 7 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.645 -0.898 18433 2882 1 7 . 1 1 51 51 MET N N 51 121.983 121.983 120.251 1.732 18433 2883 1 7 . 1 1 51 51 MET HA H 51 4.492 4.492 4.609 -0.117 18433 2884 1 7 . 1 1 51 51 MET CA C 51 55.165 55.165 54.385 0.780 18433 2885 1 7 . 1 1 51 51 MET CB C 51 33.974 33.974 34.837 -0.863 18433 2886 1 7 . 1 1 51 51 MET H H 51 9.258 9.258 8.393 0.865 18433 2887 1 7 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.724 0.108 18433 2888 1 7 . 1 1 52 52 GLU CA C 52 60.499 60.499 59.870 0.629 18433 2889 1 7 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.592 0.131 18433 2890 1 7 . 1 1 53 53 GLU N N 53 116.755 116.755 118.261 -1.506 18433 2891 1 7 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.137 -0.072 18433 2892 1 7 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.274 0.897 18433 2893 1 7 . 1 1 53 53 GLU CB C 53 29.644 29.644 29.018 0.626 18433 2894 1 7 . 1 1 53 53 GLU H H 53 9.834 9.834 8.639 1.195 18433 2895 1 7 . 1 1 54 54 ASP N N 54 117.972 117.972 120.279 -2.307 18433 2896 1 7 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.404 0.594 18433 2897 1 7 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.273 0.788 18433 2898 1 7 . 1 1 54 54 ASP CB C 54 42.266 42.266 41.078 1.188 18433 2899 1 7 . 1 1 54 54 ASP H H 54 7.348 7.348 7.594 -0.246 18433 2900 1 7 . 1 1 55 55 ILE N N 55 122.004 122.004 120.177 1.827 18433 2901 1 7 . 1 1 55 55 ILE HA H 55 3.935 3.935 4.050 -0.115 18433 2902 1 7 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.774 1.757 18433 2903 1 7 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.087 0.052 18433 2904 1 7 . 1 1 55 55 ILE H H 55 8.081 8.081 8.339 -0.258 18433 2905 1 7 . 1 1 56 56 LEU N N 56 117.547 117.547 120.254 -2.707 18433 2906 1 7 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.183 -0.033 18433 2907 1 7 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.081 -0.145 18433 2908 1 7 . 1 1 56 56 LEU CB C 56 40.977 40.977 41.635 -0.658 18433 2909 1 7 . 1 1 56 56 LEU H H 56 8.770 8.770 7.803 0.967 18433 2910 1 7 . 1 1 57 57 GLN N N 57 119.917 119.917 116.952 2.965 18433 2911 1 7 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.027 0.039 18433 2912 1 7 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.727 1.644 18433 2913 1 7 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.311 -0.371 18433 2914 1 7 . 1 1 57 57 GLN H H 57 7.734 7.734 7.716 0.018 18433 2915 1 7 . 1 1 58 58 VAL N N 58 122.347 122.347 118.432 3.915 18433 2916 1 7 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.774 -0.159 18433 2917 1 7 . 1 1 58 58 VAL CA C 58 67.230 67.230 66.206 1.024 18433 2918 1 7 . 1 1 58 58 VAL CB C 58 31.272 31.272 31.642 -0.370 18433 2919 1 7 . 1 1 58 58 VAL H H 58 7.727 7.727 7.453 0.274 18433 2920 1 7 . 1 1 59 59 VAL N N 59 121.131 121.131 121.212 -0.081 18433 2921 1 7 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.733 -0.327 18433 2922 1 7 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.357 1.691 18433 2923 1 7 . 1 1 59 59 VAL CB C 59 31.542 31.542 30.936 0.606 18433 2924 1 7 . 1 1 59 59 VAL H H 59 8.341 8.341 7.753 0.588 18433 2925 1 7 . 1 1 60 60 ARG N N 60 120.942 120.942 118.087 2.855 18433 2926 1 7 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.149 -0.034 18433 2927 1 7 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.591 -0.178 18433 2928 1 7 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.560 0.181 18433 2929 1 7 . 1 1 60 60 ARG H H 60 8.457 8.457 7.894 0.563 18433 2930 1 7 . 1 1 61 61 TYR N N 61 120.718 120.718 121.676 -0.958 18433 2931 1 7 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.328 0.238 18433 2932 1 7 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.630 -0.875 18433 2933 1 7 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.508 -0.155 18433 2934 1 7 . 1 1 61 61 TYR H H 61 7.833 7.833 7.490 0.343 18433 2935 1 7 . 1 1 62 62 CYS N N 62 114.924 114.924 117.642 -2.718 18433 2936 1 7 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.928 -0.255 18433 2937 1 7 . 1 1 62 62 CYS CA C 62 64.281 64.281 64.221 0.060 18433 2938 1 7 . 1 1 62 62 CYS CB C 62 27.717 27.717 28.231 -0.514 18433 2939 1 7 . 1 1 62 62 CYS H H 62 8.079 8.079 8.320 -0.241 18433 2940 1 7 . 1 1 63 63 THR N N 63 114.103 114.103 113.947 0.156 18433 2941 1 7 . 1 1 63 63 THR HA H 63 3.852 3.852 3.993 -0.141 18433 2942 1 7 . 1 1 63 63 THR CA C 63 66.871 66.871 66.055 0.816 18433 2943 1 7 . 1 1 63 63 THR CB C 63 67.762 67.762 68.284 -0.522 18433 2944 1 7 . 1 1 63 63 THR H H 63 8.721 8.721 8.549 0.172 18433 2945 1 7 . 1 1 64 64 ASP N N 64 126.664 126.664 120.648 6.016 18433 2946 1 7 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.544 -0.123 18433 2947 1 7 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.763 1.021 18433 2948 1 7 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.263 -1.022 18433 2949 1 7 . 1 1 64 64 ASP H H 64 8.771 8.771 7.415 1.356 18433 2950 1 7 . 1 1 65 65 LEU N N 65 119.722 119.722 120.499 -0.777 18433 2951 1 7 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.962 -0.090 18433 2952 1 7 . 1 1 65 65 LEU CA C 65 58.251 58.251 58.058 0.193 18433 2953 1 7 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.695 -0.205 18433 2954 1 7 . 1 1 65 65 LEU H H 65 7.850 7.850 7.524 0.326 18433 2955 1 7 . 1 1 66 66 ILE N N 66 119.189 119.189 117.988 1.201 18433 2956 1 7 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.955 -0.557 18433 2957 1 7 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.431 0.767 18433 2958 1 7 . 1 1 66 66 ILE CB C 66 37.730 37.730 38.004 -0.274 18433 2959 1 7 . 1 1 66 66 ILE H H 66 7.636 7.636 7.339 0.297 18433 2960 1 7 . 1 1 67 67 GLU N N 67 123.166 123.166 117.693 5.473 18433 2961 1 7 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.113 -0.118 18433 2962 1 7 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.317 1.278 18433 2963 1 7 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.226 -0.042 18433 2964 1 7 . 1 1 67 67 GLU H H 67 8.512 8.512 7.711 0.801 18433 2965 1 7 . 1 1 68 68 GLU N N 68 116.524 116.524 116.958 -0.434 18433 2966 1 7 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.327 -0.032 18433 2967 1 7 . 1 1 68 68 GLU CA C 68 55.778 55.778 55.913 -0.135 18433 2968 1 7 . 1 1 68 68 GLU CB C 68 29.535 29.535 29.740 -0.205 18433 2969 1 7 . 1 1 68 68 GLU H H 68 7.633 7.633 7.986 -0.353 18433 2970 1 7 . 1 1 69 69 LYS N N 69 116.625 116.625 115.392 1.233 18433 2971 1 7 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.107 -0.462 18433 2972 1 7 . 1 1 69 69 LYS CA C 69 57.369 57.369 56.876 0.493 18433 2973 1 7 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.336 0.464 18433 2974 1 7 . 1 1 69 69 LYS H H 69 8.066 8.066 7.847 0.219 18433 2975 1 7 . 1 1 70 70 ASP N N 70 122.727 122.727 118.524 4.203 18433 2976 1 7 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.887 0.153 18433 2977 1 7 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.365 -1.969 18433 2978 1 7 . 1 1 70 70 ASP CB C 70 38.761 38.761 41.208 -2.447 18433 2979 1 7 . 1 1 70 70 ASP H H 70 8.483 8.483 8.524 -0.041 18433 2980 1 7 . 1 1 71 71 LEU N N 71 119.712 119.712 119.984 -0.272 18433 2981 1 7 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.846 0.035 18433 2982 1 7 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.434 -0.921 18433 2983 1 7 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.214 -0.967 18433 2984 1 7 . 1 1 71 71 LEU H H 71 7.515 7.515 8.245 -0.730 18433 2985 1 7 . 1 1 72 72 GLU N N 72 121.320 121.320 119.862 1.458 18433 2986 1 7 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.857 0.191 18433 2987 1 7 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.564 -0.058 18433 2988 1 7 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.276 0.042 18433 2989 1 7 . 1 1 72 72 GLU H H 72 8.561 8.561 8.569 -0.008 18433 2990 1 7 . 1 1 73 73 LYS N N 73 119.338 119.338 117.542 1.796 18433 2991 1 7 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.925 -0.188 18433 2992 1 7 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.168 1.340 18433 2993 1 7 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.176 0.193 18433 2994 1 7 . 1 1 73 73 LYS H H 73 7.448 7.448 7.514 -0.066 18433 2995 1 7 . 1 1 74 74 LEU N N 74 117.830 117.830 123.881 -6.051 18433 2996 1 7 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.038 -0.158 18433 2997 1 7 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.768 -0.826 18433 2998 1 7 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.805 -0.309 18433 2999 1 7 . 1 1 74 74 LEU H H 74 7.516 7.516 7.458 0.058 18433 3000 1 7 . 1 1 75 75 ASP N N 75 117.736 117.736 118.702 -0.966 18433 3001 1 7 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.428 -0.186 18433 3002 1 7 . 1 1 75 75 ASP CA C 75 57.852 57.852 58.133 -0.281 18433 3003 1 7 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.584 1.739 18433 3004 1 7 . 1 1 75 75 ASP H H 75 7.828 7.828 7.970 -0.142 18433 3005 1 7 . 1 1 76 76 LEU N N 76 116.254 116.254 119.795 -3.541 18433 3006 1 7 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.168 -0.258 18433 3007 1 7 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.763 0.194 18433 3008 1 7 . 1 1 76 76 LEU CB C 76 41.827 41.827 41.986 -0.159 18433 3009 1 7 . 1 1 76 76 LEU H H 76 7.454 7.454 7.351 0.103 18433 3010 1 7 . 1 1 77 77 VAL N N 77 120.653 120.653 119.459 1.194 18433 3011 1 7 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.769 0.195 18433 3012 1 7 . 1 1 77 77 VAL CA C 77 66.879 66.879 67.392 -0.513 18433 3013 1 7 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.942 0.077 18433 3014 1 7 . 1 1 77 77 VAL H H 77 8.626 8.626 8.529 0.097 18433 3015 1 7 . 1 1 78 78 ILE N N 78 122.189 122.189 120.654 1.535 18433 3016 1 7 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.967 0.019 18433 3017 1 7 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.506 -0.666 18433 3018 1 7 . 1 1 78 78 ILE CB C 78 35.672 35.672 36.998 -1.327 18433 3019 1 7 . 1 1 78 78 ILE H H 78 8.755 8.755 8.947 -0.192 18433 3020 1 7 . 1 1 79 79 LYS N N 79 119.030 119.030 120.148 -1.118 18433 3021 1 7 . 1 1 79 79 LYS HA H 79 3.881 3.881 3.999 -0.118 18433 3022 1 7 . 1 1 79 79 LYS CA C 79 60.438 60.438 59.007 1.431 18433 3023 1 7 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.666 0.956 18433 3024 1 7 . 1 1 79 79 LYS H H 79 8.413 8.413 7.972 0.441 18433 3025 1 7 . 1 1 80 80 TYR N N 80 121.226 121.226 121.411 -0.185 18433 3026 1 7 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.250 0.058 18433 3027 1 7 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.314 0.690 18433 3028 1 7 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.309 -0.298 18433 3029 1 7 . 1 1 80 80 TYR H H 80 8.205 8.205 7.751 0.454 18433 3030 1 7 . 1 1 81 81 MET N N 81 116.428 116.428 117.621 -1.193 18433 3031 1 7 . 1 1 81 81 MET HA H 81 3.711 3.711 4.158 -0.447 18433 3032 1 7 . 1 1 81 81 MET CA C 81 60.733 60.733 58.901 1.832 18433 3033 1 7 . 1 1 81 81 MET CB C 81 33.894 33.894 32.968 0.926 18433 3034 1 7 . 1 1 81 81 MET H H 81 8.578 8.578 8.645 -0.067 18433 3035 1 7 . 1 1 82 82 LYS N N 82 119.778 119.778 119.262 0.516 18433 3036 1 7 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.319 -0.626 18433 3037 1 7 . 1 1 82 82 LYS CA C 82 59.983 59.983 58.531 1.452 18433 3038 1 7 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.080 1.711 18433 3039 1 7 . 1 1 82 82 LYS H H 82 8.594 8.594 8.411 0.183 18433 3040 1 7 . 1 1 83 83 ARG N N 83 116.474 116.474 119.268 -2.794 18433 3041 1 7 . 1 1 83 83 ARG HA H 83 3.854 3.854 4.052 -0.198 18433 3042 1 7 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.508 -0.027 18433 3043 1 7 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.669 -0.067 18433 3044 1 7 . 1 1 83 83 ARG H H 83 7.145 7.145 7.360 -0.215 18433 3045 1 7 . 1 1 84 84 LEU N N 84 116.576 116.576 120.947 -4.371 18433 3046 1 7 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.920 -0.092 18433 3047 1 7 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.081 -0.147 18433 3048 1 7 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.915 1.124 18433 3049 1 7 . 1 1 84 84 LEU H H 84 7.284 7.284 7.048 0.236 18433 3050 1 7 . 1 1 85 85 MET N N 85 115.841 115.841 114.914 0.927 18433 3051 1 7 . 1 1 85 85 MET HA H 85 3.756 3.756 3.604 0.152 18433 3052 1 7 . 1 1 85 85 MET CA C 85 59.260 59.260 58.228 1.032 18433 3053 1 7 . 1 1 85 85 MET CB C 85 32.487 32.487 32.296 0.191 18433 3054 1 7 . 1 1 85 85 MET H H 85 8.683 8.683 7.794 0.889 18433 3055 1 7 . 1 1 86 86 GLN N N 86 114.640 114.640 114.408 0.232 18433 3056 1 7 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.129 0.232 18433 3057 1 7 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.483 -0.626 18433 3058 1 7 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.359 -1.729 18433 3059 1 7 . 1 1 86 86 GLN H H 86 7.513 7.513 7.488 0.025 18433 3060 1 7 . 1 1 87 87 GLN N N 87 117.352 117.352 116.943 0.409 18433 3061 1 7 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.186 0.036 18433 3062 1 7 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.426 -0.092 18433 3063 1 7 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.707 0.432 18433 3064 1 7 . 1 1 87 87 GLN H H 87 7.277 7.277 7.542 -0.265 18433 3065 1 7 . 1 1 88 88 SER N N 88 113.778 113.778 116.602 -2.824 18433 3066 1 7 . 1 1 88 88 SER HA H 88 4.431 4.431 4.234 0.197 18433 3067 1 7 . 1 1 88 88 SER CA C 88 58.372 58.372 59.520 -1.149 18433 3068 1 7 . 1 1 88 88 SER CB C 88 63.525 63.525 63.692 -0.167 18433 3069 1 7 . 1 1 88 88 SER H H 88 7.482 7.482 7.567 -0.085 18433 3070 1 7 . 1 1 89 89 VAL N N 89 120.934 120.934 118.662 2.272 18433 3071 1 7 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.142 0.021 18433 3072 1 7 . 1 1 89 89 VAL CA C 89 62.661 62.661 63.299 -0.638 18433 3073 1 7 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.531 -0.559 18433 3074 1 7 . 1 1 89 89 VAL H H 89 8.188 8.188 8.492 -0.304 18433 3075 1 7 . 1 1 90 90 GLU N N 90 120.714 120.714 120.000 0.714 18433 3076 1 7 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.449 -0.008 18433 3077 1 7 . 1 1 90 90 GLU CA C 90 55.945 55.945 55.819 0.126 18433 3078 1 7 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.596 0.011 18433 3079 1 7 . 1 1 90 90 GLU H H 90 8.411 8.411 8.147 0.264 18433 3080 1 7 . 1 1 91 91 SER HA H 91 4.451 4.451 4.234 0.217 18433 3081 1 7 . 1 1 91 91 SER CA C 91 59.681 59.681 60.695 -1.014 18433 3082 1 7 . 1 1 91 91 SER CB C 91 63.893 63.893 63.146 0.747 18433 3083 1 7 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.743 0.269 18433 3084 1 7 . 1 1 92 92 VAL CA C 92 64.738 64.738 64.113 0.625 18433 3085 1 7 . 1 1 92 92 VAL CB C 92 31.013 31.013 30.890 0.123 18433 3086 1 7 . 1 1 93 93 TRP N N 93 121.614 121.614 119.483 2.131 18433 3087 1 7 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.250 0.249 18433 3088 1 7 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.512 -0.836 18433 3089 1 7 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.117 0.740 18433 3090 1 7 . 1 1 93 93 TRP H H 93 7.551 7.551 7.443 0.108 18433 3091 1 7 . 1 1 94 94 ASN N N 94 119.013 119.013 117.069 1.944 18433 3092 1 7 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.467 -0.072 18433 3093 1 7 . 1 1 94 94 ASN CA C 94 57.238 57.238 57.029 0.209 18433 3094 1 7 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.443 0.304 18433 3095 1 7 . 1 1 94 94 ASN H H 94 7.794 7.794 8.275 -0.481 18433 3096 1 7 . 1 1 95 95 MET N N 95 117.158 117.158 118.465 -1.307 18433 3097 1 7 . 1 1 95 95 MET HA H 95 4.346 4.346 4.383 -0.037 18433 3098 1 7 . 1 1 95 95 MET CA C 95 58.445 58.445 58.459 -0.014 18433 3099 1 7 . 1 1 95 95 MET CB C 95 32.436 32.436 32.470 -0.034 18433 3100 1 7 . 1 1 95 95 MET H H 95 7.751 7.751 7.508 0.243 18433 3101 1 7 . 1 1 96 96 ALA N N 96 123.406 123.406 123.265 0.141 18433 3102 1 7 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.134 0.073 18433 3103 1 7 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.305 0.140 18433 3104 1 7 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.142 -0.637 18433 3105 1 7 . 1 1 96 96 ALA H H 96 7.920 7.920 7.864 0.056 18433 3106 1 7 . 1 1 97 97 PHE N N 97 117.830 117.830 119.003 -1.173 18433 3107 1 7 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.381 -0.177 18433 3108 1 7 . 1 1 97 97 PHE CA C 97 62.853 62.853 60.266 2.587 18433 3109 1 7 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.060 -0.913 18433 3110 1 7 . 1 1 97 97 PHE H H 97 8.431 8.431 8.225 0.206 18433 3111 1 7 . 1 1 98 98 ASP N N 98 118.570 118.570 119.954 -1.384 18433 3112 1 7 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.114 0.134 18433 3113 1 7 . 1 1 98 98 ASP CA C 98 57.702 57.702 57.135 0.567 18433 3114 1 7 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.709 -0.309 18433 3115 1 7 . 1 1 98 98 ASP H H 98 7.805 7.805 7.752 0.053 18433 3116 1 7 . 1 1 99 99 PHE N N 99 119.874 119.874 120.993 -1.119 18433 3117 1 7 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.169 0.125 18433 3118 1 7 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.654 -0.471 18433 3119 1 7 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.270 0.212 18433 3120 1 7 . 1 1 99 99 PHE H H 99 7.920 7.920 8.125 -0.205 18433 3121 1 7 . 1 1 100 100 ILE N N 100 122.589 122.589 119.330 3.259 18433 3122 1 7 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.466 -0.063 18433 3123 1 7 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.656 0.441 18433 3124 1 7 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.988 0.704 18433 3125 1 7 . 1 1 100 100 ILE H H 100 8.573 8.573 7.718 0.855 18433 3126 1 7 . 1 1 101 101 LEU N N 101 119.531 119.531 120.391 -0.860 18433 3127 1 7 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.787 -0.073 18433 3128 1 7 . 1 1 101 101 LEU CA C 101 57.998 57.998 58.142 -0.144 18433 3129 1 7 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.236 -0.529 18433 3130 1 7 . 1 1 101 101 LEU H H 101 8.716 8.716 7.531 1.185 18433 3131 1 7 . 1 1 102 102 ASP N N 102 118.371 118.371 118.269 0.102 18433 3132 1 7 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.348 -0.097 18433 3133 1 7 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.676 0.817 18433 3134 1 7 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.631 0.148 18433 3135 1 7 . 1 1 102 102 ASP H H 102 8.343 8.343 8.292 0.051 18433 3136 1 7 . 1 1 103 103 ASN N N 103 115.409 115.409 116.025 -0.616 18433 3137 1 7 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.629 -0.496 18433 3138 1 7 . 1 1 103 103 ASN CA C 103 57.079 57.079 55.146 1.933 18433 3139 1 7 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.232 -0.242 18433 3140 1 7 . 1 1 103 103 ASN H H 103 7.393 7.393 7.353 0.040 18433 3141 1 7 . 1 1 104 104 VAL N N 104 119.972 119.972 122.154 -2.182 18433 3142 1 7 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.707 -0.290 18433 3143 1 7 . 1 1 104 104 VAL CA C 104 66.949 66.949 67.009 -0.060 18433 3144 1 7 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.855 -0.033 18433 3145 1 7 . 1 1 104 104 VAL H H 104 8.299 8.299 8.606 -0.307 18433 3146 1 7 . 1 1 105 105 GLN N N 105 118.449 118.449 118.100 0.349 18433 3147 1 7 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.978 0.416 18433 3148 1 7 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.728 0.291 18433 3149 1 7 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.918 0.672 18433 3150 1 7 . 1 1 105 105 GLN H H 105 8.763 8.763 8.042 0.721 18433 3151 1 7 . 1 1 106 106 VAL N N 106 118.643 118.643 119.875 -1.232 18433 3152 1 7 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.756 -0.042 18433 3153 1 7 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.101 0.307 18433 3154 1 7 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.424 0.273 18433 3155 1 7 . 1 1 106 106 VAL H H 106 7.607 7.607 7.586 0.021 18433 3156 1 7 . 1 1 107 107 VAL N N 107 120.205 120.205 119.765 0.440 18433 3157 1 7 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.769 -0.040 18433 3158 1 7 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.339 1.034 18433 3159 1 7 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.793 -0.474 18433 3160 1 7 . 1 1 107 107 VAL H H 107 7.329 7.329 7.326 0.003 18433 3161 1 7 . 1 1 108 108 LEU N N 108 123.706 123.706 118.919 4.787 18433 3162 1 7 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.261 -0.238 18433 3163 1 7 . 1 1 108 108 LEU CA C 108 58.902 58.902 57.979 0.923 18433 3164 1 7 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.585 0.390 18433 3165 1 7 . 1 1 108 108 LEU H H 108 8.742 8.742 8.164 0.578 18433 3166 1 7 . 1 1 109 109 GLN N N 109 119.622 119.622 118.837 0.785 18433 3167 1 7 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.193 -0.212 18433 3168 1 7 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.967 0.099 18433 3169 1 7 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.666 -0.399 18433 3170 1 7 . 1 1 109 109 GLN H H 109 8.456 8.456 7.799 0.657 18433 3171 1 7 . 1 1 110 110 GLN N N 110 117.492 117.492 117.350 0.142 18433 3172 1 7 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.074 -0.000 18433 3173 1 7 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.169 -0.093 18433 3174 1 7 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.555 0.137 18433 3175 1 7 . 1 1 110 110 GLN H H 110 8.060 8.060 7.873 0.187 18433 3176 1 7 . 1 1 111 111 THR N N 111 112.944 112.944 114.344 -1.400 18433 3177 1 7 . 1 1 111 111 THR HA H 111 4.017 4.017 4.062 -0.045 18433 3178 1 7 . 1 1 111 111 THR CA C 111 65.020 65.020 64.534 0.486 18433 3179 1 7 . 1 1 111 111 THR CB C 111 69.543 69.543 69.299 0.244 18433 3180 1 7 . 1 1 111 111 THR H H 111 7.934 7.934 7.472 0.462 18433 3181 1 7 . 1 1 112 112 TYR N N 112 118.273 118.273 117.916 0.357 18433 3182 1 7 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.545 0.152 18433 3183 1 7 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.033 0.387 18433 3184 1 7 . 1 1 112 112 TYR CB C 112 40.341 40.341 40.323 0.018 18433 3185 1 7 . 1 1 112 112 TYR H H 112 8.404 8.404 7.972 0.432 18433 3186 1 7 . 1 1 113 113 GLY N N 113 109.593 109.593 106.514 3.079 18433 3187 1 7 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.015 0.994 18433 3188 1 7 . 1 1 113 113 GLY H H 113 7.990 7.990 7.815 0.175 18433 3189 1 7 . 1 1 114 114 SER N N 114 113.965 113.965 114.354 -0.389 18433 3190 1 7 . 1 1 114 114 SER HA H 114 4.630 4.630 4.683 -0.053 18433 3191 1 7 . 1 1 114 114 SER CA C 114 57.356 57.356 57.602 -0.246 18433 3192 1 7 . 1 1 114 114 SER CB C 114 64.543 64.543 65.269 -0.726 18433 3193 1 7 . 1 1 114 114 SER H H 114 7.636 7.636 7.842 -0.206 18433 3194 1 7 . 1 1 115 115 THR N N 115 110.456 110.456 112.349 -1.893 18433 3195 1 7 . 1 1 115 115 THR HA H 115 4.406 4.406 4.543 -0.137 18433 3196 1 7 . 1 1 115 115 THR CA C 115 61.125 61.125 61.039 0.086 18433 3197 1 7 . 1 1 115 115 THR CB C 115 70.288 70.288 70.796 -0.507 18433 3198 1 7 . 1 1 115 115 THR H H 115 7.828 7.828 7.997 -0.169 18433 3199 1 7 . 1 1 116 116 LEU N N 116 123.832 123.832 123.975 -0.143 18433 3200 1 7 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.221 0.085 18433 3201 1 7 . 1 1 116 116 LEU CA C 116 54.883 54.883 56.409 -1.526 18433 3202 1 7 . 1 1 116 116 LEU CB C 116 42.795 42.795 42.666 0.129 18433 3203 1 7 . 1 1 116 116 LEU H H 116 8.741 8.741 8.271 0.470 18433 3204 1 7 . 1 1 117 117 LYS N N 117 124.713 124.713 124.251 0.462 18433 3205 1 7 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.446 -0.033 18433 3206 1 7 . 1 1 117 117 LYS CA C 117 55.551 55.551 55.665 -0.114 18433 3207 1 7 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.571 0.980 18433 3208 1 7 . 1 1 117 117 LYS H H 117 8.479 8.479 8.624 -0.145 18433 3209 1 7 . 1 1 118 118 VAL N N 118 122.419 122.419 121.808 0.611 18433 3210 1 7 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.610 -0.368 18433 3211 1 7 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.555 0.400 18433 3212 1 7 . 1 1 118 118 VAL CB C 118 32.837 32.837 32.266 0.571 18433 3213 1 7 . 1 1 118 118 VAL H H 118 8.268 8.268 8.546 -0.278 18433 3214 1 8 . 1 1 24 24 ALA N N 24 123.308 123.308 123.815 -0.507 18433 3215 1 8 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.851 -0.307 18433 3216 1 8 . 1 1 24 24 ALA CA C 24 50.311 50.311 50.286 0.025 18433 3217 1 8 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.460 -0.863 18433 3218 1 8 . 1 1 24 24 ALA H H 24 7.820 7.820 8.239 -0.419 18433 3219 1 8 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.404 0.234 18433 3220 1 8 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.840 0.411 18433 3221 1 8 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.281 1.581 18433 3222 1 8 . 1 1 26 26 ASN N N 26 120.016 120.016 120.432 -0.416 18433 3223 1 8 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.488 -0.261 18433 3224 1 8 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.061 0.562 18433 3225 1 8 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.257 1.882 18433 3226 1 8 . 1 1 26 26 ASN H H 26 9.079 9.079 8.110 0.969 18433 3227 1 8 . 1 1 27 27 LEU N N 27 123.375 123.375 123.155 0.220 18433 3228 1 8 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.486 -0.249 18433 3229 1 8 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.139 -0.836 18433 3230 1 8 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.627 0.190 18433 3231 1 8 . 1 1 27 27 LEU H H 27 8.098 8.098 8.476 -0.378 18433 3232 1 8 . 1 1 28 28 ALA N N 28 126.889 126.889 128.926 -2.037 18433 3233 1 8 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.935 -0.261 18433 3234 1 8 . 1 1 28 28 ALA CA C 28 52.381 52.381 53.021 -0.640 18433 3235 1 8 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.294 1.635 18433 3236 1 8 . 1 1 28 28 ALA H H 28 9.215 9.215 9.064 0.151 18433 3237 1 8 . 1 1 29 29 GLY N N 29 102.532 102.532 102.218 0.314 18433 3238 1 8 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.666 0.172 18433 3239 1 8 . 1 1 29 29 GLY H H 29 7.943 7.943 8.448 -0.505 18433 3240 1 8 . 1 1 30 30 ALA N N 30 125.002 125.002 121.968 3.034 18433 3241 1 8 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.699 -0.448 18433 3242 1 8 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.792 1.356 18433 3243 1 8 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.350 -0.916 18433 3244 1 8 . 1 1 30 30 ALA H H 30 8.040 8.040 7.592 0.448 18433 3245 1 8 . 1 1 31 31 VAL N N 31 119.492 119.492 124.949 -5.457 18433 3246 1 8 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.057 0.211 18433 3247 1 8 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.733 -1.336 18433 3248 1 8 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.706 2.252 18433 3249 1 8 . 1 1 31 31 VAL H H 31 8.415 8.415 8.659 -0.244 18433 3250 1 8 . 1 1 32 32 GLU N N 32 122.142 122.142 119.465 2.677 18433 3251 1 8 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.297 -0.023 18433 3252 1 8 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.270 -0.074 18433 3253 1 8 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.203 -0.864 18433 3254 1 8 . 1 1 32 32 GLU H H 32 8.757 8.757 8.063 0.694 18433 3255 1 8 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.167 0.088 18433 3256 1 8 . 1 1 33 33 PHE CA C 33 61.336 61.336 62.085 -0.749 18433 3257 1 8 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.436 -0.792 18433 3258 1 8 . 1 1 34 34 SER N N 34 112.028 112.028 114.012 -1.984 18433 3259 1 8 . 1 1 34 34 SER HA H 34 3.652 3.652 3.727 -0.075 18433 3260 1 8 . 1 1 34 34 SER CA C 34 61.642 61.642 61.309 0.333 18433 3261 1 8 . 1 1 34 34 SER CB C 34 61.807 61.807 62.643 -0.836 18433 3262 1 8 . 1 1 34 34 SER H H 34 8.902 8.902 8.584 0.318 18433 3263 1 8 . 1 1 35 35 ASP N N 35 121.321 121.321 119.923 1.398 18433 3264 1 8 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.438 0.060 18433 3265 1 8 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.708 -0.148 18433 3266 1 8 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.580 0.647 18433 3267 1 8 . 1 1 35 35 ASP H H 35 6.930 6.930 7.480 -0.550 18433 3268 1 8 . 1 1 36 36 VAL N N 36 123.532 123.532 119.742 3.790 18433 3269 1 8 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.561 -0.313 18433 3270 1 8 . 1 1 36 36 VAL CA C 36 67.358 67.358 64.831 2.527 18433 3271 1 8 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.293 0.799 18433 3272 1 8 . 1 1 36 36 VAL H H 36 8.014 8.014 7.442 0.572 18433 3273 1 8 . 1 1 37 37 LYS N N 37 118.036 118.036 117.804 0.232 18433 3274 1 8 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.561 -0.094 18433 3275 1 8 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.324 0.925 18433 3276 1 8 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.494 0.816 18433 3277 1 8 . 1 1 37 37 LYS H H 37 8.384 8.384 7.861 0.523 18433 3278 1 8 . 1 1 38 38 THR N N 38 115.765 115.765 116.493 -0.728 18433 3279 1 8 . 1 1 38 38 THR HA H 38 3.872 3.872 4.087 -0.215 18433 3280 1 8 . 1 1 38 38 THR CA C 38 66.652 66.652 66.746 -0.094 18433 3281 1 8 . 1 1 38 38 THR CB C 38 68.664 68.664 68.522 0.142 18433 3282 1 8 . 1 1 38 38 THR H H 38 7.344 7.344 7.350 -0.006 18433 3283 1 8 . 1 1 39 39 LEU N N 39 123.362 123.362 121.561 1.801 18433 3284 1 8 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.354 -0.007 18433 3285 1 8 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.677 0.580 18433 3286 1 8 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.704 1.602 18433 3287 1 8 . 1 1 39 39 LEU H H 39 7.701 7.701 7.367 0.334 18433 3288 1 8 . 1 1 40 40 LEU N N 40 118.128 118.128 119.775 -1.647 18433 3289 1 8 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.150 0.225 18433 3290 1 8 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.256 0.055 18433 3291 1 8 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.434 1.354 18433 3292 1 8 . 1 1 40 40 LEU H H 40 8.434 8.434 7.966 0.468 18433 3293 1 8 . 1 1 41 41 LYS N N 41 117.838 117.838 119.255 -1.417 18433 3294 1 8 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.859 0.003 18433 3295 1 8 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.881 0.015 18433 3296 1 8 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.627 -0.931 18433 3297 1 8 . 1 1 41 41 LYS H H 41 8.571 8.571 8.347 0.224 18433 3298 1 8 . 1 1 42 42 GLU N N 42 122.248 122.248 117.123 5.125 18433 3299 1 8 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.221 -0.330 18433 3300 1 8 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.218 1.728 18433 3301 1 8 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.408 0.195 18433 3302 1 8 . 1 1 42 42 GLU H H 42 8.276 8.276 7.780 0.496 18433 3303 1 8 . 1 1 43 43 TRP N N 43 123.115 123.115 121.924 1.191 18433 3304 1 8 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.459 -1.434 18433 3305 1 8 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.623 -1.818 18433 3306 1 8 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.422 -0.770 18433 3307 1 8 . 1 1 43 43 TRP H H 43 8.318 8.318 7.988 0.330 18433 3308 1 8 . 1 1 44 44 ILE N N 44 112.941 112.941 113.803 -0.862 18433 3309 1 8 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.467 -0.928 18433 3310 1 8 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.029 1.411 18433 3311 1 8 . 1 1 44 44 ILE CB C 44 38.393 38.393 37.968 0.425 18433 3312 1 8 . 1 1 44 44 ILE H H 44 7.567 7.567 7.420 0.147 18433 3313 1 8 . 1 1 45 45 THR N N 45 106.451 106.451 112.773 -6.322 18433 3314 1 8 . 1 1 45 45 THR HA H 45 4.080 4.080 4.289 -0.209 18433 3315 1 8 . 1 1 45 45 THR CA C 45 63.681 63.681 64.121 -0.440 18433 3316 1 8 . 1 1 45 45 THR CB C 45 70.147 70.147 69.600 0.548 18433 3317 1 8 . 1 1 45 45 THR H H 45 7.653 7.653 7.516 0.137 18433 3318 1 8 . 1 1 46 46 THR N N 46 110.600 110.600 115.987 -5.387 18433 3319 1 8 . 1 1 46 46 THR HA H 46 4.557 4.557 4.223 0.334 18433 3320 1 8 . 1 1 46 46 THR CA C 46 62.972 62.972 65.023 -2.051 18433 3321 1 8 . 1 1 46 46 THR CB C 46 71.039 71.039 69.330 1.709 18433 3322 1 8 . 1 1 46 46 THR H H 46 7.502 7.502 8.073 -0.571 18433 3323 1 8 . 1 1 47 47 ILE N N 47 124.370 124.370 121.128 3.242 18433 3324 1 8 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.286 0.187 18433 3325 1 8 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.659 -2.056 18433 3326 1 8 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.753 -4.252 18433 3327 1 8 . 1 1 47 47 ILE H H 47 7.533 7.533 7.353 0.180 18433 3328 1 8 . 1 1 48 48 SER N N 48 119.846 119.846 121.347 -1.501 18433 3329 1 8 . 1 1 48 48 SER HA H 48 4.498 4.498 4.752 -0.254 18433 3330 1 8 . 1 1 48 48 SER CA C 48 59.280 59.280 59.836 -0.556 18433 3331 1 8 . 1 1 48 48 SER CB C 48 63.813 63.813 64.420 -0.607 18433 3332 1 8 . 1 1 48 48 SER H H 48 8.423 8.423 8.607 -0.184 18433 3333 1 8 . 1 1 49 49 ASP N N 49 119.475 119.475 121.005 -1.530 18433 3334 1 8 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.700 0.099 18433 3335 1 8 . 1 1 49 49 ASP CA C 49 50.804 50.804 50.935 -0.131 18433 3336 1 8 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.787 -0.306 18433 3337 1 8 . 1 1 49 49 ASP H H 49 7.298 7.298 7.894 -0.596 18433 3338 1 8 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.490 -0.322 18433 3339 1 8 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.709 -0.797 18433 3340 1 8 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.312 -0.565 18433 3341 1 8 . 1 1 51 51 MET N N 51 121.983 121.983 122.051 -0.068 18433 3342 1 8 . 1 1 51 51 MET HA H 51 4.492 4.492 4.513 -0.021 18433 3343 1 8 . 1 1 51 51 MET CA C 51 55.165 55.165 54.708 0.457 18433 3344 1 8 . 1 1 51 51 MET CB C 51 33.974 33.974 34.161 -0.187 18433 3345 1 8 . 1 1 51 51 MET H H 51 9.258 9.258 8.429 0.829 18433 3346 1 8 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.671 0.161 18433 3347 1 8 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.391 0.108 18433 3348 1 8 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.558 0.165 18433 3349 1 8 . 1 1 53 53 GLU N N 53 116.755 116.755 119.369 -2.614 18433 3350 1 8 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.154 -0.089 18433 3351 1 8 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.362 0.809 18433 3352 1 8 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.805 0.839 18433 3353 1 8 . 1 1 53 53 GLU H H 53 9.834 9.834 8.605 1.229 18433 3354 1 8 . 1 1 54 54 ASP N N 54 117.972 117.972 118.405 -0.433 18433 3355 1 8 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.341 0.656 18433 3356 1 8 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.508 0.553 18433 3357 1 8 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.642 1.623 18433 3358 1 8 . 1 1 54 54 ASP H H 54 7.348 7.348 8.360 -1.012 18433 3359 1 8 . 1 1 55 55 ILE N N 55 122.004 122.004 119.837 2.167 18433 3360 1 8 . 1 1 55 55 ILE HA H 55 3.935 3.935 4.016 -0.081 18433 3361 1 8 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.638 1.893 18433 3362 1 8 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.107 0.032 18433 3363 1 8 . 1 1 55 55 ILE H H 55 8.081 8.081 8.153 -0.072 18433 3364 1 8 . 1 1 56 56 LEU N N 56 117.547 117.547 120.613 -3.066 18433 3365 1 8 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.206 -0.056 18433 3366 1 8 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.262 -0.327 18433 3367 1 8 . 1 1 56 56 LEU CB C 56 40.977 40.977 41.666 -0.689 18433 3368 1 8 . 1 1 56 56 LEU H H 56 8.770 8.770 7.832 0.938 18433 3369 1 8 . 1 1 57 57 GLN N N 57 119.917 119.917 116.611 3.306 18433 3370 1 8 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.012 0.054 18433 3371 1 8 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.809 1.562 18433 3372 1 8 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.348 -0.408 18433 3373 1 8 . 1 1 57 57 GLN H H 57 7.734 7.734 7.843 -0.109 18433 3374 1 8 . 1 1 58 58 VAL N N 58 122.347 122.347 118.590 3.757 18433 3375 1 8 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.840 -0.225 18433 3376 1 8 . 1 1 58 58 VAL CA C 58 67.230 67.230 64.859 2.371 18433 3377 1 8 . 1 1 58 58 VAL CB C 58 31.272 31.272 31.072 0.200 18433 3378 1 8 . 1 1 58 58 VAL H H 58 7.727 7.727 7.491 0.236 18433 3379 1 8 . 1 1 59 59 VAL N N 59 121.131 121.131 121.404 -0.273 18433 3380 1 8 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.597 -0.191 18433 3381 1 8 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.857 1.191 18433 3382 1 8 . 1 1 59 59 VAL CB C 59 31.542 31.542 31.325 0.217 18433 3383 1 8 . 1 1 59 59 VAL H H 59 8.341 8.341 7.735 0.606 18433 3384 1 8 . 1 1 60 60 ARG N N 60 120.942 120.942 117.956 2.986 18433 3385 1 8 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.125 -0.010 18433 3386 1 8 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.595 -0.182 18433 3387 1 8 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.575 0.166 18433 3388 1 8 . 1 1 60 60 ARG H H 60 8.457 8.457 7.802 0.655 18433 3389 1 8 . 1 1 61 61 TYR N N 61 120.718 120.718 121.527 -0.809 18433 3390 1 8 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.315 0.251 18433 3391 1 8 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.565 -0.811 18433 3392 1 8 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.719 -0.366 18433 3393 1 8 . 1 1 61 61 TYR H H 61 7.833 7.833 7.481 0.352 18433 3394 1 8 . 1 1 62 62 CYS N N 62 114.924 114.924 117.631 -2.707 18433 3395 1 8 . 1 1 62 62 CYS HA H 62 3.673 3.673 4.055 -0.382 18433 3396 1 8 . 1 1 62 62 CYS CA C 62 64.281 64.281 62.209 2.072 18433 3397 1 8 . 1 1 62 62 CYS CB C 62 27.717 27.717 27.289 0.428 18433 3398 1 8 . 1 1 62 62 CYS H H 62 8.079 8.079 8.357 -0.278 18433 3399 1 8 . 1 1 63 63 THR N N 63 114.103 114.103 113.565 0.538 18433 3400 1 8 . 1 1 63 63 THR HA H 63 3.852 3.852 4.001 -0.149 18433 3401 1 8 . 1 1 63 63 THR CA C 63 66.871 66.871 66.460 0.411 18433 3402 1 8 . 1 1 63 63 THR CB C 63 67.762 67.762 68.102 -0.340 18433 3403 1 8 . 1 1 63 63 THR H H 63 8.721 8.721 8.614 0.107 18433 3404 1 8 . 1 1 64 64 ASP N N 64 126.664 126.664 121.543 5.121 18433 3405 1 8 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.537 -0.116 18433 3406 1 8 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.926 0.858 18433 3407 1 8 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.092 -0.851 18433 3408 1 8 . 1 1 64 64 ASP H H 64 8.771 8.771 7.407 1.364 18433 3409 1 8 . 1 1 65 65 LEU N N 65 119.722 119.722 120.949 -1.227 18433 3410 1 8 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.979 -0.107 18433 3411 1 8 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.900 0.351 18433 3412 1 8 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.475 0.015 18433 3413 1 8 . 1 1 65 65 LEU H H 65 7.850 7.850 7.522 0.328 18433 3414 1 8 . 1 1 66 66 ILE N N 66 119.189 119.189 119.485 -0.296 18433 3415 1 8 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.815 -0.417 18433 3416 1 8 . 1 1 66 66 ILE CA C 66 66.198 66.198 66.176 0.022 18433 3417 1 8 . 1 1 66 66 ILE CB C 66 37.730 37.730 37.812 -0.082 18433 3418 1 8 . 1 1 66 66 ILE H H 66 7.636 7.636 7.517 0.119 18433 3419 1 8 . 1 1 67 67 GLU N N 67 123.166 123.166 118.635 4.531 18433 3420 1 8 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.133 -0.138 18433 3421 1 8 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.485 1.110 18433 3422 1 8 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.146 0.037 18433 3423 1 8 . 1 1 67 67 GLU H H 67 8.512 8.512 7.741 0.771 18433 3424 1 8 . 1 1 68 68 GLU N N 68 116.524 116.524 117.004 -0.480 18433 3425 1 8 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.300 -0.005 18433 3426 1 8 . 1 1 68 68 GLU CA C 68 55.778 55.778 55.925 -0.147 18433 3427 1 8 . 1 1 68 68 GLU CB C 68 29.535 29.535 29.562 -0.028 18433 3428 1 8 . 1 1 68 68 GLU H H 68 7.633 7.633 8.181 -0.548 18433 3429 1 8 . 1 1 69 69 LYS N N 69 116.625 116.625 114.805 1.820 18433 3430 1 8 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.082 -0.437 18433 3431 1 8 . 1 1 69 69 LYS CA C 69 57.369 57.369 56.963 0.406 18433 3432 1 8 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.402 0.398 18433 3433 1 8 . 1 1 69 69 LYS H H 69 8.066 8.066 7.863 0.203 18433 3434 1 8 . 1 1 70 70 ASP N N 70 122.727 122.727 118.861 3.866 18433 3435 1 8 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.871 0.169 18433 3436 1 8 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.521 -2.125 18433 3437 1 8 . 1 1 70 70 ASP CB C 70 38.761 38.761 40.985 -2.224 18433 3438 1 8 . 1 1 70 70 ASP H H 70 8.483 8.483 8.541 -0.058 18433 3439 1 8 . 1 1 71 71 LEU N N 71 119.712 119.712 120.489 -0.777 18433 3440 1 8 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.795 0.086 18433 3441 1 8 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.600 -1.088 18433 3442 1 8 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.062 -0.815 18433 3443 1 8 . 1 1 71 71 LEU H H 71 7.515 7.515 8.207 -0.692 18433 3444 1 8 . 1 1 72 72 GLU N N 72 121.320 121.320 119.971 1.349 18433 3445 1 8 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.869 0.179 18433 3446 1 8 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.451 0.055 18433 3447 1 8 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.276 0.044 18433 3448 1 8 . 1 1 72 72 GLU H H 72 8.561 8.561 8.601 -0.040 18433 3449 1 8 . 1 1 73 73 LYS N N 73 119.338 119.338 118.098 1.240 18433 3450 1 8 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.984 -0.247 18433 3451 1 8 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.323 1.185 18433 3452 1 8 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.279 0.090 18433 3453 1 8 . 1 1 73 73 LYS H H 73 7.448 7.448 7.606 -0.158 18433 3454 1 8 . 1 1 74 74 LEU N N 74 117.830 117.830 123.787 -5.957 18433 3455 1 8 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.007 -0.127 18433 3456 1 8 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.818 -0.876 18433 3457 1 8 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.803 -0.307 18433 3458 1 8 . 1 1 74 74 LEU H H 74 7.516 7.516 7.455 0.061 18433 3459 1 8 . 1 1 75 75 ASP N N 75 117.736 117.736 118.675 -0.939 18433 3460 1 8 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.437 -0.195 18433 3461 1 8 . 1 1 75 75 ASP CA C 75 57.852 57.852 57.310 0.542 18433 3462 1 8 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.645 1.679 18433 3463 1 8 . 1 1 75 75 ASP H H 75 7.828 7.828 7.954 -0.126 18433 3464 1 8 . 1 1 76 76 LEU N N 76 116.254 116.254 120.046 -3.792 18433 3465 1 8 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.168 -0.258 18433 3466 1 8 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.769 0.188 18433 3467 1 8 . 1 1 76 76 LEU CB C 76 41.827 41.827 42.095 -0.268 18433 3468 1 8 . 1 1 76 76 LEU H H 76 7.454 7.454 7.283 0.171 18433 3469 1 8 . 1 1 77 77 VAL N N 77 120.653 120.653 119.180 1.473 18433 3470 1 8 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.781 0.183 18433 3471 1 8 . 1 1 77 77 VAL CA C 77 66.879 66.879 67.406 -0.527 18433 3472 1 8 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.930 0.089 18433 3473 1 8 . 1 1 77 77 VAL H H 77 8.626 8.626 8.604 0.022 18433 3474 1 8 . 1 1 78 78 ILE N N 78 122.189 122.189 120.400 1.789 18433 3475 1 8 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.996 -0.010 18433 3476 1 8 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.362 -0.522 18433 3477 1 8 . 1 1 78 78 ILE CB C 78 35.672 35.672 37.096 -1.423 18433 3478 1 8 . 1 1 78 78 ILE H H 78 8.755 8.755 8.883 -0.128 18433 3479 1 8 . 1 1 79 79 LYS N N 79 119.030 119.030 120.417 -1.387 18433 3480 1 8 . 1 1 79 79 LYS HA H 79 3.881 3.881 3.999 -0.118 18433 3481 1 8 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.891 1.547 18433 3482 1 8 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.649 0.973 18433 3483 1 8 . 1 1 79 79 LYS H H 79 8.413 8.413 8.009 0.404 18433 3484 1 8 . 1 1 80 80 TYR N N 80 121.226 121.226 121.330 -0.104 18433 3485 1 8 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.272 0.036 18433 3486 1 8 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.311 0.693 18433 3487 1 8 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.406 -0.395 18433 3488 1 8 . 1 1 80 80 TYR H H 80 8.205 8.205 7.829 0.376 18433 3489 1 8 . 1 1 81 81 MET N N 81 116.428 116.428 117.792 -1.364 18433 3490 1 8 . 1 1 81 81 MET HA H 81 3.711 3.711 4.169 -0.458 18433 3491 1 8 . 1 1 81 81 MET CA C 81 60.733 60.733 58.956 1.777 18433 3492 1 8 . 1 1 81 81 MET CB C 81 33.894 33.894 32.980 0.914 18433 3493 1 8 . 1 1 81 81 MET H H 81 8.578 8.578 8.573 0.005 18433 3494 1 8 . 1 1 82 82 LYS N N 82 119.778 119.778 119.148 0.630 18433 3495 1 8 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.353 -0.660 18433 3496 1 8 . 1 1 82 82 LYS CA C 82 59.983 59.983 58.560 1.423 18433 3497 1 8 . 1 1 82 82 LYS CB C 82 32.791 32.791 30.958 1.833 18433 3498 1 8 . 1 1 82 82 LYS H H 82 8.594 8.594 8.413 0.181 18433 3499 1 8 . 1 1 83 83 ARG N N 83 116.474 116.474 119.262 -2.788 18433 3500 1 8 . 1 1 83 83 ARG HA H 83 3.854 3.854 4.048 -0.194 18433 3501 1 8 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.564 -0.083 18433 3502 1 8 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.632 -0.030 18433 3503 1 8 . 1 1 83 83 ARG H H 83 7.145 7.145 7.346 -0.201 18433 3504 1 8 . 1 1 84 84 LEU N N 84 116.576 116.576 120.910 -4.334 18433 3505 1 8 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.924 -0.096 18433 3506 1 8 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.081 -0.147 18433 3507 1 8 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.929 1.110 18433 3508 1 8 . 1 1 84 84 LEU H H 84 7.284 7.284 7.061 0.223 18433 3509 1 8 . 1 1 85 85 MET N N 85 115.841 115.841 115.301 0.540 18433 3510 1 8 . 1 1 85 85 MET HA H 85 3.756 3.756 3.675 0.081 18433 3511 1 8 . 1 1 85 85 MET CA C 85 59.260 59.260 58.251 1.009 18433 3512 1 8 . 1 1 85 85 MET CB C 85 32.487 32.487 32.447 0.040 18433 3513 1 8 . 1 1 85 85 MET H H 85 8.683 8.683 7.782 0.901 18433 3514 1 8 . 1 1 86 86 GLN N N 86 114.640 114.640 114.705 -0.065 18433 3515 1 8 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.097 0.264 18433 3516 1 8 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.500 -0.643 18433 3517 1 8 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.409 -1.779 18433 3518 1 8 . 1 1 86 86 GLN H H 86 7.513 7.513 7.514 -0.001 18433 3519 1 8 . 1 1 87 87 GLN N N 87 117.352 117.352 116.564 0.788 18433 3520 1 8 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.187 0.035 18433 3521 1 8 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.416 -0.082 18433 3522 1 8 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.719 0.420 18433 3523 1 8 . 1 1 87 87 GLN H H 87 7.277 7.277 7.515 -0.238 18433 3524 1 8 . 1 1 88 88 SER N N 88 113.778 113.778 116.832 -3.054 18433 3525 1 8 . 1 1 88 88 SER HA H 88 4.431 4.431 4.284 0.147 18433 3526 1 8 . 1 1 88 88 SER CA C 88 58.372 58.372 59.798 -1.426 18433 3527 1 8 . 1 1 88 88 SER CB C 88 63.525 63.525 63.651 -0.126 18433 3528 1 8 . 1 1 88 88 SER H H 88 7.482 7.482 7.634 -0.152 18433 3529 1 8 . 1 1 89 89 VAL N N 89 120.934 120.934 117.648 3.286 18433 3530 1 8 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.255 -0.092 18433 3531 1 8 . 1 1 89 89 VAL CA C 89 62.661 62.661 63.004 -0.343 18433 3532 1 8 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.651 -0.679 18433 3533 1 8 . 1 1 89 89 VAL H H 89 8.188 8.188 8.604 -0.416 18433 3534 1 8 . 1 1 90 90 GLU N N 90 120.714 120.714 121.106 -0.392 18433 3535 1 8 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.481 -0.040 18433 3536 1 8 . 1 1 90 90 GLU CA C 90 55.945 55.945 56.377 -0.432 18433 3537 1 8 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.723 -0.116 18433 3538 1 8 . 1 1 90 90 GLU H H 90 8.411 8.411 8.186 0.225 18433 3539 1 8 . 1 1 91 91 SER HA H 91 4.451 4.451 4.224 0.227 18433 3540 1 8 . 1 1 91 91 SER CA C 91 59.681 59.681 60.390 -0.709 18433 3541 1 8 . 1 1 91 91 SER CB C 91 63.893 63.893 63.267 0.626 18433 3542 1 8 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.823 0.189 18433 3543 1 8 . 1 1 92 92 VAL CA C 92 64.738 64.738 64.035 0.703 18433 3544 1 8 . 1 1 92 92 VAL CB C 92 31.013 31.013 30.994 0.019 18433 3545 1 8 . 1 1 93 93 TRP N N 93 121.614 121.614 119.527 2.087 18433 3546 1 8 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.274 0.225 18433 3547 1 8 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.386 -0.711 18433 3548 1 8 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.201 0.656 18433 3549 1 8 . 1 1 93 93 TRP H H 93 7.551 7.551 7.359 0.192 18433 3550 1 8 . 1 1 94 94 ASN N N 94 119.013 119.013 117.147 1.866 18433 3551 1 8 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.445 -0.050 18433 3552 1 8 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.871 0.367 18433 3553 1 8 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.530 0.217 18433 3554 1 8 . 1 1 94 94 ASN H H 94 7.794 7.794 7.953 -0.159 18433 3555 1 8 . 1 1 95 95 MET N N 95 117.158 117.158 117.916 -0.758 18433 3556 1 8 . 1 1 95 95 MET HA H 95 4.346 4.346 4.388 -0.042 18433 3557 1 8 . 1 1 95 95 MET CA C 95 58.445 58.445 58.252 0.193 18433 3558 1 8 . 1 1 95 95 MET CB C 95 32.436 32.436 32.430 0.006 18433 3559 1 8 . 1 1 95 95 MET H H 95 7.751 7.751 7.571 0.180 18433 3560 1 8 . 1 1 96 96 ALA N N 96 123.406 123.406 123.494 -0.088 18433 3561 1 8 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.142 0.065 18433 3562 1 8 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.332 0.113 18433 3563 1 8 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.148 -0.643 18433 3564 1 8 . 1 1 96 96 ALA H H 96 7.920 7.920 7.751 0.169 18433 3565 1 8 . 1 1 97 97 PHE N N 97 117.830 117.830 118.717 -0.887 18433 3566 1 8 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.361 -0.157 18433 3567 1 8 . 1 1 97 97 PHE CA C 97 62.853 62.853 60.129 2.724 18433 3568 1 8 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.114 -0.967 18433 3569 1 8 . 1 1 97 97 PHE H H 97 8.431 8.431 8.086 0.345 18433 3570 1 8 . 1 1 98 98 ASP N N 98 118.570 118.570 120.029 -1.459 18433 3571 1 8 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.089 0.159 18433 3572 1 8 . 1 1 98 98 ASP CA C 98 57.702 57.702 56.795 0.907 18433 3573 1 8 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.738 -0.338 18433 3574 1 8 . 1 1 98 98 ASP H H 98 7.805 7.805 7.761 0.044 18433 3575 1 8 . 1 1 99 99 PHE N N 99 119.874 119.874 120.951 -1.077 18433 3576 1 8 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.153 0.141 18433 3577 1 8 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.662 -0.479 18433 3578 1 8 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.284 0.198 18433 3579 1 8 . 1 1 99 99 PHE H H 99 7.920 7.920 8.104 -0.184 18433 3580 1 8 . 1 1 100 100 ILE N N 100 122.589 122.589 119.182 3.407 18433 3581 1 8 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.465 -0.062 18433 3582 1 8 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.754 0.343 18433 3583 1 8 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.951 0.741 18433 3584 1 8 . 1 1 100 100 ILE H H 100 8.573 8.573 7.727 0.846 18433 3585 1 8 . 1 1 101 101 LEU N N 101 119.531 119.531 120.061 -0.530 18433 3586 1 8 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.799 -0.085 18433 3587 1 8 . 1 1 101 101 LEU CA C 101 57.998 57.998 57.868 0.130 18433 3588 1 8 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.193 -0.486 18433 3589 1 8 . 1 1 101 101 LEU H H 101 8.716 8.716 7.487 1.229 18433 3590 1 8 . 1 1 102 102 ASP N N 102 118.371 118.371 118.571 -0.200 18433 3591 1 8 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.341 -0.090 18433 3592 1 8 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.752 0.741 18433 3593 1 8 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.778 0.001 18433 3594 1 8 . 1 1 102 102 ASP H H 102 8.343 8.343 8.374 -0.031 18433 3595 1 8 . 1 1 103 103 ASN N N 103 115.409 115.409 115.835 -0.426 18433 3596 1 8 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.633 -0.500 18433 3597 1 8 . 1 1 103 103 ASN CA C 103 57.079 57.079 55.073 2.006 18433 3598 1 8 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.085 -0.095 18433 3599 1 8 . 1 1 103 103 ASN H H 103 7.393 7.393 7.302 0.091 18433 3600 1 8 . 1 1 104 104 VAL N N 104 119.972 119.972 122.477 -2.505 18433 3601 1 8 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.646 -0.229 18433 3602 1 8 . 1 1 104 104 VAL CA C 104 66.949 66.949 67.224 -0.275 18433 3603 1 8 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.981 -0.159 18433 3604 1 8 . 1 1 104 104 VAL H H 104 8.299 8.299 8.489 -0.190 18433 3605 1 8 . 1 1 105 105 GLN N N 105 118.449 118.449 117.831 0.618 18433 3606 1 8 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.961 0.433 18433 3607 1 8 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.707 0.313 18433 3608 1 8 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.809 0.781 18433 3609 1 8 . 1 1 105 105 GLN H H 105 8.763 8.763 7.991 0.772 18433 3610 1 8 . 1 1 106 106 VAL N N 106 118.643 118.643 119.834 -1.191 18433 3611 1 8 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.780 -0.066 18433 3612 1 8 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.338 0.070 18433 3613 1 8 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.352 0.345 18433 3614 1 8 . 1 1 106 106 VAL H H 106 7.607 7.607 7.620 -0.013 18433 3615 1 8 . 1 1 107 107 VAL N N 107 120.205 120.205 119.853 0.352 18433 3616 1 8 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.768 -0.039 18433 3617 1 8 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.629 0.744 18433 3618 1 8 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.548 -0.230 18433 3619 1 8 . 1 1 107 107 VAL H H 107 7.329 7.329 7.337 -0.008 18433 3620 1 8 . 1 1 108 108 LEU N N 108 123.706 123.706 119.020 4.686 18433 3621 1 8 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.318 -0.295 18433 3622 1 8 . 1 1 108 108 LEU CA C 108 58.902 58.902 57.868 1.034 18433 3623 1 8 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.513 0.462 18433 3624 1 8 . 1 1 108 108 LEU H H 108 8.742 8.742 8.120 0.622 18433 3625 1 8 . 1 1 109 109 GLN N N 109 119.622 119.622 118.979 0.643 18433 3626 1 8 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.140 -0.159 18433 3627 1 8 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.852 0.214 18433 3628 1 8 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.761 -0.493 18433 3629 1 8 . 1 1 109 109 GLN H H 109 8.456 8.456 8.004 0.452 18433 3630 1 8 . 1 1 110 110 GLN N N 110 117.492 117.492 117.126 0.366 18433 3631 1 8 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.085 -0.011 18433 3632 1 8 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.197 -0.121 18433 3633 1 8 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.592 0.100 18433 3634 1 8 . 1 1 110 110 GLN H H 110 8.060 8.060 7.839 0.221 18433 3635 1 8 . 1 1 111 111 THR N N 111 112.944 112.944 114.225 -1.281 18433 3636 1 8 . 1 1 111 111 THR HA H 111 4.017 4.017 4.112 -0.095 18433 3637 1 8 . 1 1 111 111 THR CA C 111 65.020 65.020 64.210 0.810 18433 3638 1 8 . 1 1 111 111 THR CB C 111 69.543 69.543 69.754 -0.211 18433 3639 1 8 . 1 1 111 111 THR H H 111 7.934 7.934 7.509 0.425 18433 3640 1 8 . 1 1 112 112 TYR N N 112 118.273 118.273 117.390 0.883 18433 3641 1 8 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.510 0.187 18433 3642 1 8 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.215 0.204 18433 3643 1 8 . 1 1 112 112 TYR CB C 112 40.341 40.341 40.392 -0.051 18433 3644 1 8 . 1 1 112 112 TYR H H 112 8.404 8.404 8.139 0.265 18433 3645 1 8 . 1 1 113 113 GLY N N 113 109.593 109.593 106.307 3.286 18433 3646 1 8 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.121 0.888 18433 3647 1 8 . 1 1 113 113 GLY H H 113 7.990 7.990 7.928 0.062 18433 3648 1 8 . 1 1 114 114 SER N N 114 113.965 113.965 116.030 -2.065 18433 3649 1 8 . 1 1 114 114 SER HA H 114 4.630 4.630 4.667 -0.037 18433 3650 1 8 . 1 1 114 114 SER CA C 114 57.356 57.356 57.800 -0.444 18433 3651 1 8 . 1 1 114 114 SER CB C 114 64.543 64.543 64.680 -0.137 18433 3652 1 8 . 1 1 114 114 SER H H 114 7.636 7.636 8.087 -0.451 18433 3653 1 8 . 1 1 115 115 THR N N 115 110.456 110.456 110.029 0.427 18433 3654 1 8 . 1 1 115 115 THR HA H 115 4.406 4.406 4.647 -0.241 18433 3655 1 8 . 1 1 115 115 THR CA C 115 61.125 61.125 61.097 0.028 18433 3656 1 8 . 1 1 115 115 THR CB C 115 70.288 70.288 70.722 -0.434 18433 3657 1 8 . 1 1 115 115 THR H H 115 7.828 7.828 7.954 -0.126 18433 3658 1 8 . 1 1 116 116 LEU N N 116 123.832 123.832 121.579 2.253 18433 3659 1 8 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.538 -0.232 18433 3660 1 8 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.423 0.460 18433 3661 1 8 . 1 1 116 116 LEU CB C 116 42.795 42.795 43.864 -1.069 18433 3662 1 8 . 1 1 116 116 LEU H H 116 8.741 8.741 8.377 0.364 18433 3663 1 8 . 1 1 117 117 LYS N N 117 124.713 124.713 123.258 1.455 18433 3664 1 8 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.437 -0.024 18433 3665 1 8 . 1 1 117 117 LYS CA C 117 55.551 55.551 55.880 -0.329 18433 3666 1 8 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.209 1.342 18433 3667 1 8 . 1 1 117 117 LYS H H 117 8.479 8.479 8.549 -0.070 18433 3668 1 8 . 1 1 118 118 VAL N N 118 122.419 122.419 123.723 -1.304 18433 3669 1 8 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.652 -0.410 18433 3670 1 8 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.381 0.574 18433 3671 1 8 . 1 1 118 118 VAL CB C 118 32.837 32.837 31.789 1.048 18433 3672 1 8 . 1 1 118 118 VAL H H 118 8.268 8.268 8.428 -0.160 18433 3673 1 9 . 1 1 24 24 ALA N N 24 123.308 123.308 123.961 -0.653 18433 3674 1 9 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.755 -0.211 18433 3675 1 9 . 1 1 24 24 ALA CA C 24 50.311 50.311 50.035 0.276 18433 3676 1 9 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.698 -1.101 18433 3677 1 9 . 1 1 24 24 ALA H H 24 7.820 7.820 8.014 -0.194 18433 3678 1 9 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.391 0.247 18433 3679 1 9 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.901 0.350 18433 3680 1 9 . 1 1 25 25 PRO CB C 25 31.862 31.862 29.966 1.896 18433 3681 1 9 . 1 1 26 26 ASN N N 26 120.016 120.016 119.466 0.550 18433 3682 1 9 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.407 -0.180 18433 3683 1 9 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.147 0.476 18433 3684 1 9 . 1 1 26 26 ASN CB C 26 44.139 44.139 41.742 2.397 18433 3685 1 9 . 1 1 26 26 ASN H H 26 9.079 9.079 8.152 0.927 18433 3686 1 9 . 1 1 27 27 LEU N N 27 123.375 123.375 123.949 -0.574 18433 3687 1 9 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.523 -0.286 18433 3688 1 9 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.050 -0.747 18433 3689 1 9 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.890 -0.073 18433 3690 1 9 . 1 1 27 27 LEU H H 27 8.098 8.098 8.610 -0.512 18433 3691 1 9 . 1 1 28 28 ALA N N 28 126.889 126.889 129.630 -2.741 18433 3692 1 9 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.979 -0.305 18433 3693 1 9 . 1 1 28 28 ALA CA C 28 52.381 52.381 52.682 -0.301 18433 3694 1 9 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.167 1.762 18433 3695 1 9 . 1 1 28 28 ALA H H 28 9.215 9.215 8.981 0.234 18433 3696 1 9 . 1 1 29 29 GLY N N 29 102.532 102.532 103.111 -0.579 18433 3697 1 9 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.860 -0.022 18433 3698 1 9 . 1 1 29 29 GLY H H 29 7.943 7.943 8.491 -0.548 18433 3699 1 9 . 1 1 30 30 ALA N N 30 125.002 125.002 121.837 3.165 18433 3700 1 9 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.722 -0.471 18433 3701 1 9 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.695 1.453 18433 3702 1 9 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.228 -0.794 18433 3703 1 9 . 1 1 30 30 ALA H H 30 8.040 8.040 7.640 0.400 18433 3704 1 9 . 1 1 31 31 VAL N N 31 119.492 119.492 123.980 -4.488 18433 3705 1 9 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.099 0.169 18433 3706 1 9 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.742 -1.345 18433 3707 1 9 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.584 2.374 18433 3708 1 9 . 1 1 31 31 VAL H H 31 8.415 8.415 8.559 -0.144 18433 3709 1 9 . 1 1 32 32 GLU N N 32 122.142 122.142 119.012 3.130 18433 3710 1 9 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.284 -0.010 18433 3711 1 9 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.713 -0.517 18433 3712 1 9 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.331 -0.992 18433 3713 1 9 . 1 1 32 32 GLU H H 32 8.757 8.757 7.831 0.926 18433 3714 1 9 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.137 0.118 18433 3715 1 9 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.874 -0.538 18433 3716 1 9 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.288 -0.644 18433 3717 1 9 . 1 1 34 34 SER N N 34 112.028 112.028 112.360 -0.332 18433 3718 1 9 . 1 1 34 34 SER HA H 34 3.652 3.652 3.719 -0.067 18433 3719 1 9 . 1 1 34 34 SER CA C 34 61.642 61.642 61.299 0.343 18433 3720 1 9 . 1 1 34 34 SER CB C 34 61.807 61.807 61.867 -0.060 18433 3721 1 9 . 1 1 34 34 SER H H 34 8.902 8.902 8.553 0.349 18433 3722 1 9 . 1 1 35 35 ASP N N 35 121.321 121.321 122.486 -1.165 18433 3723 1 9 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.488 0.010 18433 3724 1 9 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.182 0.378 18433 3725 1 9 . 1 1 35 35 ASP CB C 35 41.227 41.227 41.081 0.146 18433 3726 1 9 . 1 1 35 35 ASP H H 35 6.930 6.930 7.550 -0.620 18433 3727 1 9 . 1 1 36 36 VAL N N 36 123.532 123.532 120.118 3.414 18433 3728 1 9 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.382 -0.134 18433 3729 1 9 . 1 1 36 36 VAL CA C 36 67.358 67.358 66.722 0.635 18433 3730 1 9 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.777 0.315 18433 3731 1 9 . 1 1 36 36 VAL H H 36 8.014 8.014 7.861 0.153 18433 3732 1 9 . 1 1 37 37 LYS N N 37 118.036 118.036 117.285 0.751 18433 3733 1 9 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.610 -0.143 18433 3734 1 9 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.328 0.921 18433 3735 1 9 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.569 0.740 18433 3736 1 9 . 1 1 37 37 LYS H H 37 8.384 8.384 7.794 0.590 18433 3737 1 9 . 1 1 38 38 THR N N 38 115.765 115.765 116.591 -0.826 18433 3738 1 9 . 1 1 38 38 THR HA H 38 3.872 3.872 4.035 -0.163 18433 3739 1 9 . 1 1 38 38 THR CA C 38 66.652 66.652 66.953 -0.301 18433 3740 1 9 . 1 1 38 38 THR CB C 38 68.664 68.664 68.439 0.225 18433 3741 1 9 . 1 1 38 38 THR H H 38 7.344 7.344 7.226 0.118 18433 3742 1 9 . 1 1 39 39 LEU N N 39 123.362 123.362 121.201 2.161 18433 3743 1 9 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.395 -0.048 18433 3744 1 9 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.329 0.928 18433 3745 1 9 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.365 1.941 18433 3746 1 9 . 1 1 39 39 LEU H H 39 7.701 7.701 7.606 0.095 18433 3747 1 9 . 1 1 40 40 LEU N N 40 118.128 118.128 119.809 -1.681 18433 3748 1 9 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.119 0.256 18433 3749 1 9 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.218 0.093 18433 3750 1 9 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.397 1.391 18433 3751 1 9 . 1 1 40 40 LEU H H 40 8.434 8.434 7.612 0.822 18433 3752 1 9 . 1 1 41 41 LYS N N 41 117.838 117.838 119.197 -1.359 18433 3753 1 9 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.851 0.011 18433 3754 1 9 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.873 0.023 18433 3755 1 9 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.650 -0.954 18433 3756 1 9 . 1 1 41 41 LYS H H 41 8.571 8.571 8.418 0.153 18433 3757 1 9 . 1 1 42 42 GLU N N 42 122.248 122.248 117.246 5.002 18433 3758 1 9 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.224 -0.333 18433 3759 1 9 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.224 1.722 18433 3760 1 9 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.443 0.160 18433 3761 1 9 . 1 1 42 42 GLU H H 42 8.276 8.276 7.811 0.465 18433 3762 1 9 . 1 1 43 43 TRP N N 43 123.115 123.115 122.733 0.382 18433 3763 1 9 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.499 -1.474 18433 3764 1 9 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.497 -1.692 18433 3765 1 9 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.601 -0.949 18433 3766 1 9 . 1 1 43 43 TRP H H 43 8.318 8.318 8.422 -0.104 18433 3767 1 9 . 1 1 44 44 ILE N N 44 112.941 112.941 115.623 -2.682 18433 3768 1 9 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.606 -1.067 18433 3769 1 9 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.420 1.021 18433 3770 1 9 . 1 1 44 44 ILE CB C 44 38.393 38.393 38.154 0.239 18433 3771 1 9 . 1 1 44 44 ILE H H 44 7.567 7.567 7.491 0.076 18433 3772 1 9 . 1 1 45 45 THR N N 45 106.451 106.451 110.967 -4.516 18433 3773 1 9 . 1 1 45 45 THR HA H 45 4.080 4.080 4.302 -0.222 18433 3774 1 9 . 1 1 45 45 THR CA C 45 63.681 63.681 64.724 -1.043 18433 3775 1 9 . 1 1 45 45 THR CB C 45 70.147 70.147 69.647 0.500 18433 3776 1 9 . 1 1 45 45 THR H H 45 7.653 7.653 7.598 0.055 18433 3777 1 9 . 1 1 46 46 THR N N 46 110.600 110.600 116.297 -5.697 18433 3778 1 9 . 1 1 46 46 THR HA H 46 4.557 4.557 4.206 0.351 18433 3779 1 9 . 1 1 46 46 THR CA C 46 62.972 62.972 65.324 -2.352 18433 3780 1 9 . 1 1 46 46 THR CB C 46 71.039 71.039 69.433 1.606 18433 3781 1 9 . 1 1 46 46 THR H H 46 7.502 7.502 8.112 -0.610 18433 3782 1 9 . 1 1 47 47 ILE N N 47 124.370 124.370 121.206 3.164 18433 3783 1 9 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.348 0.125 18433 3784 1 9 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.280 -1.677 18433 3785 1 9 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.412 -3.911 18433 3786 1 9 . 1 1 47 47 ILE H H 47 7.533 7.533 7.330 0.203 18433 3787 1 9 . 1 1 48 48 SER N N 48 119.846 119.846 121.150 -1.304 18433 3788 1 9 . 1 1 48 48 SER HA H 48 4.498 4.498 4.724 -0.226 18433 3789 1 9 . 1 1 48 48 SER CA C 48 59.280 59.280 58.578 0.702 18433 3790 1 9 . 1 1 48 48 SER CB C 48 63.813 63.813 64.535 -0.722 18433 3791 1 9 . 1 1 48 48 SER H H 48 8.423 8.423 8.715 -0.292 18433 3792 1 9 . 1 1 49 49 ASP N N 49 119.475 119.475 121.899 -2.424 18433 3793 1 9 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.801 -0.002 18433 3794 1 9 . 1 1 49 49 ASP CA C 49 50.804 50.804 52.134 -1.330 18433 3795 1 9 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.502 -0.021 18433 3796 1 9 . 1 1 49 49 ASP H H 49 7.298 7.298 7.950 -0.652 18433 3797 1 9 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.535 -0.367 18433 3798 1 9 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.660 -0.748 18433 3799 1 9 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.819 -1.072 18433 3800 1 9 . 1 1 51 51 MET N N 51 121.983 121.983 120.633 1.350 18433 3801 1 9 . 1 1 51 51 MET HA H 51 4.492 4.492 4.622 -0.130 18433 3802 1 9 . 1 1 51 51 MET CA C 51 55.165 55.165 54.486 0.679 18433 3803 1 9 . 1 1 51 51 MET CB C 51 33.974 33.974 35.202 -1.228 18433 3804 1 9 . 1 1 51 51 MET H H 51 9.258 9.258 8.485 0.773 18433 3805 1 9 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.739 0.093 18433 3806 1 9 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.330 0.169 18433 3807 1 9 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.257 0.466 18433 3808 1 9 . 1 1 53 53 GLU N N 53 116.755 116.755 118.631 -1.876 18433 3809 1 9 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.147 -0.082 18433 3810 1 9 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.388 0.783 18433 3811 1 9 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.834 0.810 18433 3812 1 9 . 1 1 53 53 GLU H H 53 9.834 9.834 8.671 1.163 18433 3813 1 9 . 1 1 54 54 ASP N N 54 117.972 117.972 120.009 -2.037 18433 3814 1 9 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.358 0.640 18433 3815 1 9 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.215 0.846 18433 3816 1 9 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.479 1.787 18433 3817 1 9 . 1 1 54 54 ASP H H 54 7.348 7.348 8.254 -0.906 18433 3818 1 9 . 1 1 55 55 ILE N N 55 122.004 122.004 119.515 2.489 18433 3819 1 9 . 1 1 55 55 ILE HA H 55 3.935 3.935 3.992 -0.057 18433 3820 1 9 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.696 1.835 18433 3821 1 9 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.048 0.091 18433 3822 1 9 . 1 1 55 55 ILE H H 55 8.081 8.081 8.141 -0.060 18433 3823 1 9 . 1 1 56 56 LEU N N 56 117.547 117.547 120.442 -2.895 18433 3824 1 9 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.184 -0.034 18433 3825 1 9 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.089 -0.154 18433 3826 1 9 . 1 1 56 56 LEU CB C 56 40.977 40.977 41.714 -0.737 18433 3827 1 9 . 1 1 56 56 LEU H H 56 8.770 8.770 7.530 1.240 18433 3828 1 9 . 1 1 57 57 GLN N N 57 119.917 119.917 117.637 2.280 18433 3829 1 9 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.028 0.038 18433 3830 1 9 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.921 1.450 18433 3831 1 9 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.134 -0.194 18433 3832 1 9 . 1 1 57 57 GLN H H 57 7.734 7.734 7.986 -0.252 18433 3833 1 9 . 1 1 58 58 VAL N N 58 122.347 122.347 117.986 4.361 18433 3834 1 9 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.810 -0.195 18433 3835 1 9 . 1 1 58 58 VAL CA C 58 67.230 67.230 65.603 1.627 18433 3836 1 9 . 1 1 58 58 VAL CB C 58 31.272 31.272 31.270 0.002 18433 3837 1 9 . 1 1 58 58 VAL H H 58 7.727 7.727 7.254 0.473 18433 3838 1 9 . 1 1 59 59 VAL N N 59 121.131 121.131 121.361 -0.230 18433 3839 1 9 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.653 -0.247 18433 3840 1 9 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.778 1.270 18433 3841 1 9 . 1 1 59 59 VAL CB C 59 31.542 31.542 31.485 0.057 18433 3842 1 9 . 1 1 59 59 VAL H H 59 8.341 8.341 7.734 0.607 18433 3843 1 9 . 1 1 60 60 ARG N N 60 120.942 120.942 118.513 2.429 18433 3844 1 9 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.179 -0.064 18433 3845 1 9 . 1 1 60 60 ARG CA C 60 58.413 58.413 57.723 0.690 18433 3846 1 9 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.198 0.543 18433 3847 1 9 . 1 1 60 60 ARG H H 60 8.457 8.457 7.917 0.540 18433 3848 1 9 . 1 1 61 61 TYR N N 61 120.718 120.718 122.251 -1.533 18433 3849 1 9 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.325 0.241 18433 3850 1 9 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.566 -0.812 18433 3851 1 9 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.450 -0.097 18433 3852 1 9 . 1 1 61 61 TYR H H 61 7.833 7.833 7.523 0.310 18433 3853 1 9 . 1 1 62 62 CYS N N 62 114.924 114.924 117.380 -2.456 18433 3854 1 9 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.930 -0.257 18433 3855 1 9 . 1 1 62 62 CYS CA C 62 64.281 64.281 64.198 0.083 18433 3856 1 9 . 1 1 62 62 CYS CB C 62 27.717 27.717 28.418 -0.701 18433 3857 1 9 . 1 1 62 62 CYS H H 62 8.079 8.079 8.430 -0.351 18433 3858 1 9 . 1 1 63 63 THR N N 63 114.103 114.103 113.587 0.516 18433 3859 1 9 . 1 1 63 63 THR HA H 63 3.852 3.852 3.944 -0.092 18433 3860 1 9 . 1 1 63 63 THR CA C 63 66.871 66.871 66.205 0.666 18433 3861 1 9 . 1 1 63 63 THR CB C 63 67.762 67.762 68.024 -0.262 18433 3862 1 9 . 1 1 63 63 THR H H 63 8.721 8.721 8.419 0.302 18433 3863 1 9 . 1 1 64 64 ASP N N 64 126.664 126.664 122.026 4.638 18433 3864 1 9 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.558 -0.137 18433 3865 1 9 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.730 1.054 18433 3866 1 9 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.320 -1.079 18433 3867 1 9 . 1 1 64 64 ASP H H 64 8.771 8.771 7.516 1.255 18433 3868 1 9 . 1 1 65 65 LEU N N 65 119.722 119.722 120.534 -0.812 18433 3869 1 9 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.959 -0.087 18433 3870 1 9 . 1 1 65 65 LEU CA C 65 58.251 58.251 58.020 0.231 18433 3871 1 9 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.641 -0.151 18433 3872 1 9 . 1 1 65 65 LEU H H 65 7.850 7.850 7.512 0.338 18433 3873 1 9 . 1 1 66 66 ILE N N 66 119.189 119.189 118.869 0.320 18433 3874 1 9 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.860 -0.462 18433 3875 1 9 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.899 0.299 18433 3876 1 9 . 1 1 66 66 ILE CB C 66 37.730 37.730 37.986 -0.256 18433 3877 1 9 . 1 1 66 66 ILE H H 66 7.636 7.636 7.356 0.280 18433 3878 1 9 . 1 1 67 67 GLU N N 67 123.166 123.166 118.063 5.103 18433 3879 1 9 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.027 -0.032 18433 3880 1 9 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.558 1.037 18433 3881 1 9 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.186 -0.003 18433 3882 1 9 . 1 1 67 67 GLU H H 67 8.512 8.512 8.000 0.512 18433 3883 1 9 . 1 1 68 68 GLU N N 68 116.524 116.524 116.834 -0.310 18433 3884 1 9 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.310 -0.015 18433 3885 1 9 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.456 -0.678 18433 3886 1 9 . 1 1 68 68 GLU CB C 68 29.535 29.535 30.482 -0.947 18433 3887 1 9 . 1 1 68 68 GLU H H 68 7.633 7.633 8.145 -0.512 18433 3888 1 9 . 1 1 69 69 LYS N N 69 116.625 116.625 115.530 1.095 18433 3889 1 9 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.110 -0.465 18433 3890 1 9 . 1 1 69 69 LYS CA C 69 57.369 57.369 56.940 0.429 18433 3891 1 9 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.526 0.273 18433 3892 1 9 . 1 1 69 69 LYS H H 69 8.066 8.066 7.848 0.218 18433 3893 1 9 . 1 1 70 70 ASP N N 70 122.727 122.727 118.712 4.015 18433 3894 1 9 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.922 0.118 18433 3895 1 9 . 1 1 70 70 ASP CA C 70 51.396 51.396 52.835 -1.439 18433 3896 1 9 . 1 1 70 70 ASP CB C 70 38.761 38.761 41.084 -2.324 18433 3897 1 9 . 1 1 70 70 ASP H H 70 8.483 8.483 8.555 -0.072 18433 3898 1 9 . 1 1 71 71 LEU N N 71 119.712 119.712 120.232 -0.520 18433 3899 1 9 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.832 0.049 18433 3900 1 9 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.310 -0.798 18433 3901 1 9 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.157 -0.910 18433 3902 1 9 . 1 1 71 71 LEU H H 71 7.515 7.515 8.217 -0.702 18433 3903 1 9 . 1 1 72 72 GLU N N 72 121.320 121.320 119.867 1.453 18433 3904 1 9 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.851 0.197 18433 3905 1 9 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.536 -0.030 18433 3906 1 9 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.272 0.047 18433 3907 1 9 . 1 1 72 72 GLU H H 72 8.561 8.561 8.557 0.004 18433 3908 1 9 . 1 1 73 73 LYS N N 73 119.338 119.338 117.495 1.843 18433 3909 1 9 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.852 -0.115 18433 3910 1 9 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.127 1.381 18433 3911 1 9 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.148 0.221 18433 3912 1 9 . 1 1 73 73 LYS H H 73 7.448 7.448 7.495 -0.047 18433 3913 1 9 . 1 1 74 74 LEU N N 74 117.830 117.830 123.935 -6.105 18433 3914 1 9 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.003 -0.123 18433 3915 1 9 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.657 -0.715 18433 3916 1 9 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.862 -0.366 18433 3917 1 9 . 1 1 74 74 LEU H H 74 7.516 7.516 7.465 0.051 18433 3918 1 9 . 1 1 75 75 ASP N N 75 117.736 117.736 118.527 -0.791 18433 3919 1 9 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.405 -0.163 18433 3920 1 9 . 1 1 75 75 ASP CA C 75 57.852 57.852 57.778 0.074 18433 3921 1 9 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.701 1.622 18433 3922 1 9 . 1 1 75 75 ASP H H 75 7.828 7.828 7.947 -0.119 18433 3923 1 9 . 1 1 76 76 LEU N N 76 116.254 116.254 120.127 -3.873 18433 3924 1 9 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.196 -0.286 18433 3925 1 9 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.624 0.333 18433 3926 1 9 . 1 1 76 76 LEU CB C 76 41.827 41.827 41.958 -0.131 18433 3927 1 9 . 1 1 76 76 LEU H H 76 7.454 7.454 7.311 0.143 18433 3928 1 9 . 1 1 77 77 VAL N N 77 120.653 120.653 119.553 1.100 18433 3929 1 9 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.839 0.125 18433 3930 1 9 . 1 1 77 77 VAL CA C 77 66.879 66.879 66.644 0.235 18433 3931 1 9 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.639 0.380 18433 3932 1 9 . 1 1 77 77 VAL H H 77 8.626 8.626 8.552 0.074 18433 3933 1 9 . 1 1 78 78 ILE N N 78 122.189 122.189 120.524 1.665 18433 3934 1 9 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.970 0.016 18433 3935 1 9 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.907 -1.067 18433 3936 1 9 . 1 1 78 78 ILE CB C 78 35.672 35.672 36.853 -1.181 18433 3937 1 9 . 1 1 78 78 ILE H H 78 8.755 8.755 8.939 -0.184 18433 3938 1 9 . 1 1 79 79 LYS N N 79 119.030 119.030 119.648 -0.618 18433 3939 1 9 . 1 1 79 79 LYS HA H 79 3.881 3.881 3.968 -0.087 18433 3940 1 9 . 1 1 79 79 LYS CA C 79 60.438 60.438 59.023 1.415 18433 3941 1 9 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.524 1.097 18433 3942 1 9 . 1 1 79 79 LYS H H 79 8.413 8.413 7.759 0.654 18433 3943 1 9 . 1 1 80 80 TYR N N 80 121.226 121.226 121.874 -0.648 18433 3944 1 9 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.117 0.191 18433 3945 1 9 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.573 0.431 18433 3946 1 9 . 1 1 80 80 TYR CB C 80 39.011 39.011 38.910 0.101 18433 3947 1 9 . 1 1 80 80 TYR H H 80 8.205 8.205 7.906 0.299 18433 3948 1 9 . 1 1 81 81 MET N N 81 116.428 116.428 116.340 0.088 18433 3949 1 9 . 1 1 81 81 MET HA H 81 3.711 3.711 4.055 -0.344 18433 3950 1 9 . 1 1 81 81 MET CA C 81 60.733 60.733 59.051 1.681 18433 3951 1 9 . 1 1 81 81 MET CB C 81 33.894 33.894 32.542 1.352 18433 3952 1 9 . 1 1 81 81 MET H H 81 8.578 8.578 8.858 -0.280 18433 3953 1 9 . 1 1 82 82 LYS N N 82 119.778 119.778 121.025 -1.247 18433 3954 1 9 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.458 -0.765 18433 3955 1 9 . 1 1 82 82 LYS CA C 82 59.983 59.983 59.937 0.046 18433 3956 1 9 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.973 0.818 18433 3957 1 9 . 1 1 82 82 LYS H H 82 8.594 8.594 7.962 0.632 18433 3958 1 9 . 1 1 83 83 ARG N N 83 116.474 116.474 118.283 -1.809 18433 3959 1 9 . 1 1 83 83 ARG HA H 83 3.854 3.854 3.937 -0.083 18433 3960 1 9 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.924 -0.443 18433 3961 1 9 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.340 0.262 18433 3962 1 9 . 1 1 83 83 ARG H H 83 7.145 7.145 7.731 -0.586 18433 3963 1 9 . 1 1 84 84 LEU N N 84 116.576 116.576 120.519 -3.943 18433 3964 1 9 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.958 -0.130 18433 3965 1 9 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.071 -0.137 18433 3966 1 9 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.862 1.177 18433 3967 1 9 . 1 1 84 84 LEU H H 84 7.284 7.284 7.073 0.211 18433 3968 1 9 . 1 1 85 85 MET N N 85 115.841 115.841 116.554 -0.713 18433 3969 1 9 . 1 1 85 85 MET HA H 85 3.756 3.756 3.715 0.041 18433 3970 1 9 . 1 1 85 85 MET CA C 85 59.260 59.260 58.301 0.959 18433 3971 1 9 . 1 1 85 85 MET CB C 85 32.487 32.487 32.498 -0.011 18433 3972 1 9 . 1 1 85 85 MET H H 85 8.683 8.683 8.215 0.468 18433 3973 1 9 . 1 1 86 86 GLN N N 86 114.640 114.640 114.718 -0.078 18433 3974 1 9 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.159 0.202 18433 3975 1 9 . 1 1 86 86 GLN CA C 86 56.857 56.857 58.058 -1.201 18433 3976 1 9 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.085 -1.455 18433 3977 1 9 . 1 1 86 86 GLN H H 86 7.513 7.513 8.222 -0.709 18433 3978 1 9 . 1 1 87 87 GLN N N 87 117.352 117.352 117.442 -0.090 18433 3979 1 9 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.179 0.043 18433 3980 1 9 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.585 -0.251 18433 3981 1 9 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.625 0.514 18433 3982 1 9 . 1 1 87 87 GLN H H 87 7.277 7.277 7.642 -0.365 18433 3983 1 9 . 1 1 88 88 SER N N 88 113.778 113.778 116.526 -2.748 18433 3984 1 9 . 1 1 88 88 SER HA H 88 4.431 4.431 4.229 0.202 18433 3985 1 9 . 1 1 88 88 SER CA C 88 58.372 58.372 60.060 -1.688 18433 3986 1 9 . 1 1 88 88 SER CB C 88 63.525 63.525 63.774 -0.249 18433 3987 1 9 . 1 1 88 88 SER H H 88 7.482 7.482 7.557 -0.075 18433 3988 1 9 . 1 1 89 89 VAL N N 89 120.934 120.934 118.970 1.964 18433 3989 1 9 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.150 0.013 18433 3990 1 9 . 1 1 89 89 VAL CA C 89 62.661 62.661 63.437 -0.776 18433 3991 1 9 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.428 -0.456 18433 3992 1 9 . 1 1 89 89 VAL H H 89 8.188 8.188 8.559 -0.371 18433 3993 1 9 . 1 1 90 90 GLU N N 90 120.714 120.714 120.314 0.400 18433 3994 1 9 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.407 0.034 18433 3995 1 9 . 1 1 90 90 GLU CA C 90 55.945 55.945 55.828 0.117 18433 3996 1 9 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.153 0.454 18433 3997 1 9 . 1 1 90 90 GLU H H 90 8.411 8.411 8.065 0.346 18433 3998 1 9 . 1 1 91 91 SER HA H 91 4.451 4.451 4.180 0.271 18433 3999 1 9 . 1 1 91 91 SER CA C 91 59.681 59.681 60.848 -1.167 18433 4000 1 9 . 1 1 91 91 SER CB C 91 63.893 63.893 63.339 0.554 18433 4001 1 9 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.648 0.364 18433 4002 1 9 . 1 1 92 92 VAL CA C 92 64.738 64.738 65.031 -0.293 18433 4003 1 9 . 1 1 92 92 VAL CB C 92 31.013 31.013 31.357 -0.344 18433 4004 1 9 . 1 1 93 93 TRP N N 93 121.614 121.614 119.291 2.323 18433 4005 1 9 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.284 0.215 18433 4006 1 9 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.429 -0.753 18433 4007 1 9 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.217 0.640 18433 4008 1 9 . 1 1 93 93 TRP H H 93 7.551 7.551 8.027 -0.476 18433 4009 1 9 . 1 1 94 94 ASN N N 94 119.013 119.013 116.887 2.126 18433 4010 1 9 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.437 -0.042 18433 4011 1 9 . 1 1 94 94 ASN CA C 94 57.238 57.238 57.033 0.205 18433 4012 1 9 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.457 0.290 18433 4013 1 9 . 1 1 94 94 ASN H H 94 7.794 7.794 8.188 -0.394 18433 4014 1 9 . 1 1 95 95 MET N N 95 117.158 117.158 118.245 -1.087 18433 4015 1 9 . 1 1 95 95 MET HA H 95 4.346 4.346 4.385 -0.039 18433 4016 1 9 . 1 1 95 95 MET CA C 95 58.445 58.445 58.517 -0.072 18433 4017 1 9 . 1 1 95 95 MET CB C 95 32.436 32.436 32.469 -0.033 18433 4018 1 9 . 1 1 95 95 MET H H 95 7.751 7.751 7.498 0.253 18433 4019 1 9 . 1 1 96 96 ALA N N 96 123.406 123.406 123.285 0.121 18433 4020 1 9 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.140 0.067 18433 4021 1 9 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.328 0.117 18433 4022 1 9 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.133 -0.628 18433 4023 1 9 . 1 1 96 96 ALA H H 96 7.920 7.920 7.773 0.147 18433 4024 1 9 . 1 1 97 97 PHE N N 97 117.830 117.830 119.200 -1.370 18433 4025 1 9 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.282 -0.077 18433 4026 1 9 . 1 1 97 97 PHE CA C 97 62.853 62.853 61.276 1.577 18433 4027 1 9 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.042 -0.895 18433 4028 1 9 . 1 1 97 97 PHE H H 97 8.431 8.431 8.200 0.231 18433 4029 1 9 . 1 1 98 98 ASP N N 98 118.570 118.570 119.618 -1.048 18433 4030 1 9 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.127 0.121 18433 4031 1 9 . 1 1 98 98 ASP CA C 98 57.702 57.702 57.144 0.558 18433 4032 1 9 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.683 -0.283 18433 4033 1 9 . 1 1 98 98 ASP H H 98 7.805 7.805 7.873 -0.068 18433 4034 1 9 . 1 1 99 99 PHE N N 99 119.874 119.874 120.918 -1.044 18433 4035 1 9 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.178 0.116 18433 4036 1 9 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.584 -0.401 18433 4037 1 9 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.322 0.160 18433 4038 1 9 . 1 1 99 99 PHE H H 99 7.920 7.920 8.085 -0.165 18433 4039 1 9 . 1 1 100 100 ILE N N 100 122.589 122.589 119.384 3.205 18433 4040 1 9 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.499 -0.096 18433 4041 1 9 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.502 0.595 18433 4042 1 9 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.998 0.694 18433 4043 1 9 . 1 1 100 100 ILE H H 100 8.573 8.573 8.142 0.431 18433 4044 1 9 . 1 1 101 101 LEU N N 101 119.531 119.531 120.319 -0.788 18433 4045 1 9 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.785 -0.071 18433 4046 1 9 . 1 1 101 101 LEU CA C 101 57.998 57.998 58.050 -0.052 18433 4047 1 9 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.295 -0.588 18433 4048 1 9 . 1 1 101 101 LEU H H 101 8.716 8.716 7.754 0.962 18433 4049 1 9 . 1 1 102 102 ASP N N 102 118.371 118.371 118.752 -0.381 18433 4050 1 9 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.315 -0.064 18433 4051 1 9 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.784 0.709 18433 4052 1 9 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.735 0.044 18433 4053 1 9 . 1 1 102 102 ASP H H 102 8.343 8.343 8.233 0.110 18433 4054 1 9 . 1 1 103 103 ASN N N 103 115.409 115.409 116.485 -1.076 18433 4055 1 9 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.648 -0.515 18433 4056 1 9 . 1 1 103 103 ASN CA C 103 57.079 57.079 55.018 2.061 18433 4057 1 9 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.166 -0.175 18433 4058 1 9 . 1 1 103 103 ASN H H 103 7.393 7.393 7.217 0.176 18433 4059 1 9 . 1 1 104 104 VAL N N 104 119.972 119.972 122.482 -2.510 18433 4060 1 9 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.606 -0.189 18433 4061 1 9 . 1 1 104 104 VAL CA C 104 66.949 66.949 67.315 -0.366 18433 4062 1 9 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.917 -0.095 18433 4063 1 9 . 1 1 104 104 VAL H H 104 8.299 8.299 8.533 -0.234 18433 4064 1 9 . 1 1 105 105 GLN N N 105 118.449 118.449 117.691 0.758 18433 4065 1 9 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.951 0.443 18433 4066 1 9 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.790 0.230 18433 4067 1 9 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.882 0.708 18433 4068 1 9 . 1 1 105 105 GLN H H 105 8.763 8.763 8.048 0.715 18433 4069 1 9 . 1 1 106 106 VAL N N 106 118.643 118.643 119.613 -0.970 18433 4070 1 9 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.764 -0.050 18433 4071 1 9 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.375 0.033 18433 4072 1 9 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.420 0.277 18433 4073 1 9 . 1 1 106 106 VAL H H 106 7.607 7.607 7.608 -0.001 18433 4074 1 9 . 1 1 107 107 VAL N N 107 120.205 120.205 119.896 0.309 18433 4075 1 9 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.661 0.068 18433 4076 1 9 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.840 0.534 18433 4077 1 9 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.828 -0.510 18433 4078 1 9 . 1 1 107 107 VAL H H 107 7.329 7.329 7.348 -0.019 18433 4079 1 9 . 1 1 108 108 LEU N N 108 123.706 123.706 119.235 4.471 18433 4080 1 9 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.187 -0.164 18433 4081 1 9 . 1 1 108 108 LEU CA C 108 58.902 58.902 58.163 0.738 18433 4082 1 9 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.556 0.419 18433 4083 1 9 . 1 1 108 108 LEU H H 108 8.742 8.742 8.473 0.269 18433 4084 1 9 . 1 1 109 109 GLN N N 109 119.622 119.622 119.005 0.617 18433 4085 1 9 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.137 -0.156 18433 4086 1 9 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.826 0.240 18433 4087 1 9 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.749 -0.482 18433 4088 1 9 . 1 1 109 109 GLN H H 109 8.456 8.456 7.830 0.626 18433 4089 1 9 . 1 1 110 110 GLN N N 110 117.492 117.492 117.329 0.163 18433 4090 1 9 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.080 -0.006 18433 4091 1 9 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.175 -0.099 18433 4092 1 9 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.593 0.099 18433 4093 1 9 . 1 1 110 110 GLN H H 110 8.060 8.060 7.922 0.138 18433 4094 1 9 . 1 1 111 111 THR N N 111 112.944 112.944 113.326 -0.382 18433 4095 1 9 . 1 1 111 111 THR HA H 111 4.017 4.017 4.030 -0.013 18433 4096 1 9 . 1 1 111 111 THR CA C 111 65.020 65.020 64.585 0.435 18433 4097 1 9 . 1 1 111 111 THR CB C 111 69.543 69.543 69.607 -0.064 18433 4098 1 9 . 1 1 111 111 THR H H 111 7.934 7.934 7.393 0.541 18433 4099 1 9 . 1 1 112 112 TYR N N 112 118.273 118.273 117.894 0.379 18433 4100 1 9 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.579 0.118 18433 4101 1 9 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.918 -0.498 18433 4102 1 9 . 1 1 112 112 TYR CB C 112 40.341 40.341 39.499 0.842 18433 4103 1 9 . 1 1 112 112 TYR H H 112 8.404 8.404 8.304 0.100 18433 4104 1 9 . 1 1 113 113 GLY N N 113 109.593 109.593 105.082 4.511 18433 4105 1 9 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.094 0.915 18433 4106 1 9 . 1 1 113 113 GLY H H 113 7.990 7.990 7.868 0.122 18433 4107 1 9 . 1 1 114 114 SER N N 114 113.965 113.965 115.325 -1.360 18433 4108 1 9 . 1 1 114 114 SER HA H 114 4.630 4.630 4.665 -0.035 18433 4109 1 9 . 1 1 114 114 SER CA C 114 57.356 57.356 57.071 0.285 18433 4110 1 9 . 1 1 114 114 SER CB C 114 64.543 64.543 64.127 0.416 18433 4111 1 9 . 1 1 114 114 SER H H 114 7.636 7.636 7.974 -0.338 18433 4112 1 9 . 1 1 115 115 THR N N 115 110.456 110.456 110.022 0.434 18433 4113 1 9 . 1 1 115 115 THR HA H 115 4.406 4.406 4.626 -0.220 18433 4114 1 9 . 1 1 115 115 THR CA C 115 61.125 61.125 60.305 0.820 18433 4115 1 9 . 1 1 115 115 THR CB C 115 70.288 70.288 71.168 -0.880 18433 4116 1 9 . 1 1 115 115 THR H H 115 7.828 7.828 7.866 -0.038 18433 4117 1 9 . 1 1 116 116 LEU N N 116 123.832 123.832 121.544 2.288 18433 4118 1 9 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.545 -0.239 18433 4119 1 9 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.033 0.850 18433 4120 1 9 . 1 1 116 116 LEU CB C 116 42.795 42.795 44.351 -1.556 18433 4121 1 9 . 1 1 116 116 LEU H H 116 8.741 8.741 8.508 0.233 18433 4122 1 9 . 1 1 117 117 LYS N N 117 124.713 124.713 125.002 -0.289 18433 4123 1 9 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.377 0.036 18433 4124 1 9 . 1 1 117 117 LYS CA C 117 55.551 55.551 56.041 -0.490 18433 4125 1 9 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.328 1.223 18433 4126 1 9 . 1 1 117 117 LYS H H 117 8.479 8.479 8.548 -0.069 18433 4127 1 9 . 1 1 118 118 VAL N N 118 122.419 122.419 123.096 -0.677 18433 4128 1 9 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.583 -0.342 18433 4129 1 9 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.275 0.680 18433 4130 1 9 . 1 1 118 118 VAL CB C 118 32.837 32.837 32.110 0.727 18433 4131 1 9 . 1 1 118 118 VAL H H 118 8.268 8.268 8.251 0.017 18433 4132 1 10 . 1 1 24 24 ALA N N 24 123.308 123.308 123.972 -0.664 18433 4133 1 10 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.808 -0.264 18433 4134 1 10 . 1 1 24 24 ALA CA C 24 50.311 50.311 50.120 0.192 18433 4135 1 10 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.254 -0.657 18433 4136 1 10 . 1 1 24 24 ALA H H 24 7.820 7.820 8.248 -0.428 18433 4137 1 10 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.390 0.248 18433 4138 1 10 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.892 0.359 18433 4139 1 10 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.424 1.438 18433 4140 1 10 . 1 1 26 26 ASN N N 26 120.016 120.016 120.653 -0.637 18433 4141 1 10 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.521 -0.294 18433 4142 1 10 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.111 0.512 18433 4143 1 10 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.332 1.807 18433 4144 1 10 . 1 1 26 26 ASN H H 26 9.079 9.079 8.112 0.967 18433 4145 1 10 . 1 1 27 27 LEU N N 27 123.375 123.375 123.358 0.017 18433 4146 1 10 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.361 -0.124 18433 4147 1 10 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.624 -1.321 18433 4148 1 10 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.735 0.082 18433 4149 1 10 . 1 1 27 27 LEU H H 27 8.098 8.098 8.504 -0.406 18433 4150 1 10 . 1 1 28 28 ALA N N 28 126.889 126.889 129.487 -2.598 18433 4151 1 10 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.915 -0.241 18433 4152 1 10 . 1 1 28 28 ALA CA C 28 52.381 52.381 53.097 -0.716 18433 4153 1 10 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.320 1.609 18433 4154 1 10 . 1 1 28 28 ALA H H 28 9.215 9.215 8.815 0.400 18433 4155 1 10 . 1 1 29 29 GLY N N 29 102.532 102.532 102.086 0.446 18433 4156 1 10 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.668 0.170 18433 4157 1 10 . 1 1 29 29 GLY H H 29 7.943 7.943 8.459 -0.516 18433 4158 1 10 . 1 1 30 30 ALA N N 30 125.002 125.002 121.927 3.075 18433 4159 1 10 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.672 -0.421 18433 4160 1 10 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.834 1.314 18433 4161 1 10 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.559 -1.125 18433 4162 1 10 . 1 1 30 30 ALA H H 30 8.040 8.040 7.561 0.479 18433 4163 1 10 . 1 1 31 31 VAL N N 31 119.492 119.492 124.230 -4.738 18433 4164 1 10 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.087 0.181 18433 4165 1 10 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.990 -1.593 18433 4166 1 10 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.768 2.190 18433 4167 1 10 . 1 1 31 31 VAL H H 31 8.415 8.415 8.586 -0.171 18433 4168 1 10 . 1 1 32 32 GLU N N 32 122.142 122.142 119.483 2.659 18433 4169 1 10 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.302 -0.028 18433 4170 1 10 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.265 -0.069 18433 4171 1 10 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.513 -1.174 18433 4172 1 10 . 1 1 32 32 GLU H H 32 8.757 8.757 7.857 0.900 18433 4173 1 10 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.195 0.060 18433 4174 1 10 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.760 -0.424 18433 4175 1 10 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.516 -0.872 18433 4176 1 10 . 1 1 34 34 SER N N 34 112.028 112.028 114.188 -2.160 18433 4177 1 10 . 1 1 34 34 SER HA H 34 3.652 3.652 3.692 -0.040 18433 4178 1 10 . 1 1 34 34 SER CA C 34 61.642 61.642 61.767 -0.125 18433 4179 1 10 . 1 1 34 34 SER CB C 34 61.807 61.807 62.246 -0.439 18433 4180 1 10 . 1 1 34 34 SER H H 34 8.902 8.902 8.499 0.403 18433 4181 1 10 . 1 1 35 35 ASP N N 35 121.321 121.321 120.200 1.121 18433 4182 1 10 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.416 0.082 18433 4183 1 10 . 1 1 35 35 ASP CA C 35 56.560 56.560 57.048 -0.488 18433 4184 1 10 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.352 0.875 18433 4185 1 10 . 1 1 35 35 ASP H H 35 6.930 6.930 7.519 -0.589 18433 4186 1 10 . 1 1 36 36 VAL N N 36 123.532 123.532 119.794 3.738 18433 4187 1 10 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.498 -0.250 18433 4188 1 10 . 1 1 36 36 VAL CA C 36 67.358 67.358 66.165 1.193 18433 4189 1 10 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.601 0.491 18433 4190 1 10 . 1 1 36 36 VAL H H 36 8.014 8.014 7.553 0.461 18433 4191 1 10 . 1 1 37 37 LYS N N 37 118.036 118.036 117.593 0.443 18433 4192 1 10 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.602 -0.135 18433 4193 1 10 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.229 1.020 18433 4194 1 10 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.560 0.749 18433 4195 1 10 . 1 1 37 37 LYS H H 37 8.384 8.384 7.937 0.447 18433 4196 1 10 . 1 1 38 38 THR N N 38 115.765 115.765 116.515 -0.750 18433 4197 1 10 . 1 1 38 38 THR HA H 38 3.872 3.872 4.089 -0.217 18433 4198 1 10 . 1 1 38 38 THR CA C 38 66.652 66.652 66.101 0.551 18433 4199 1 10 . 1 1 38 38 THR CB C 38 68.664 68.664 68.361 0.303 18433 4200 1 10 . 1 1 38 38 THR H H 38 7.344 7.344 7.353 -0.009 18433 4201 1 10 . 1 1 39 39 LEU N N 39 123.362 123.362 121.419 1.943 18433 4202 1 10 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.341 0.006 18433 4203 1 10 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.605 0.652 18433 4204 1 10 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.647 1.659 18433 4205 1 10 . 1 1 39 39 LEU H H 39 7.701 7.701 7.303 0.398 18433 4206 1 10 . 1 1 40 40 LEU N N 40 118.128 118.128 119.915 -1.787 18433 4207 1 10 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.128 0.247 18433 4208 1 10 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.225 0.086 18433 4209 1 10 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.438 1.350 18433 4210 1 10 . 1 1 40 40 LEU H H 40 8.434 8.434 7.857 0.577 18433 4211 1 10 . 1 1 41 41 LYS N N 41 117.838 117.838 119.205 -1.367 18433 4212 1 10 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.856 0.006 18433 4213 1 10 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.858 0.038 18433 4214 1 10 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.629 -0.933 18433 4215 1 10 . 1 1 41 41 LYS H H 41 8.571 8.571 8.356 0.215 18433 4216 1 10 . 1 1 42 42 GLU N N 42 122.248 122.248 117.018 5.230 18433 4217 1 10 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.222 -0.331 18433 4218 1 10 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.192 1.754 18433 4219 1 10 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.452 0.151 18433 4220 1 10 . 1 1 42 42 GLU H H 42 8.276 8.276 7.776 0.500 18433 4221 1 10 . 1 1 43 43 TRP N N 43 123.115 123.115 121.909 1.206 18433 4222 1 10 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.456 -1.431 18433 4223 1 10 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.622 -1.817 18433 4224 1 10 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.425 -0.773 18433 4225 1 10 . 1 1 43 43 TRP H H 43 8.318 8.318 7.996 0.322 18433 4226 1 10 . 1 1 44 44 ILE N N 44 112.941 112.941 114.050 -1.109 18433 4227 1 10 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.462 -0.923 18433 4228 1 10 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.048 1.393 18433 4229 1 10 . 1 1 44 44 ILE CB C 44 38.393 38.393 37.854 0.539 18433 4230 1 10 . 1 1 44 44 ILE H H 44 7.567 7.567 7.503 0.064 18433 4231 1 10 . 1 1 45 45 THR N N 45 106.451 106.451 113.993 -7.542 18433 4232 1 10 . 1 1 45 45 THR HA H 45 4.080 4.080 4.295 -0.215 18433 4233 1 10 . 1 1 45 45 THR CA C 45 63.681 63.681 64.104 -0.423 18433 4234 1 10 . 1 1 45 45 THR CB C 45 70.147 70.147 69.174 0.973 18433 4235 1 10 . 1 1 45 45 THR H H 45 7.653 7.653 7.661 -0.008 18433 4236 1 10 . 1 1 46 46 THR N N 46 110.600 110.600 116.575 -5.975 18433 4237 1 10 . 1 1 46 46 THR HA H 46 4.557 4.557 4.265 0.292 18433 4238 1 10 . 1 1 46 46 THR CA C 46 62.972 62.972 64.590 -1.618 18433 4239 1 10 . 1 1 46 46 THR CB C 46 71.039 71.039 69.328 1.711 18433 4240 1 10 . 1 1 46 46 THR H H 46 7.502 7.502 8.266 -0.764 18433 4241 1 10 . 1 1 47 47 ILE N N 47 124.370 124.370 121.143 3.227 18433 4242 1 10 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.275 0.198 18433 4243 1 10 . 1 1 47 47 ILE CA C 47 58.603 58.603 61.005 -2.402 18433 4244 1 10 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.765 -4.264 18433 4245 1 10 . 1 1 47 47 ILE H H 47 7.533 7.533 7.407 0.126 18433 4246 1 10 . 1 1 48 48 SER N N 48 119.846 119.846 120.710 -0.864 18433 4247 1 10 . 1 1 48 48 SER HA H 48 4.498 4.498 4.774 -0.276 18433 4248 1 10 . 1 1 48 48 SER CA C 48 59.280 59.280 59.465 -0.185 18433 4249 1 10 . 1 1 48 48 SER CB C 48 63.813 63.813 64.653 -0.840 18433 4250 1 10 . 1 1 48 48 SER H H 48 8.423 8.423 8.737 -0.314 18433 4251 1 10 . 1 1 49 49 ASP N N 49 119.475 119.475 120.226 -0.751 18433 4252 1 10 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.717 0.082 18433 4253 1 10 . 1 1 49 49 ASP CA C 49 50.804 50.804 51.464 -0.660 18433 4254 1 10 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.415 0.066 18433 4255 1 10 . 1 1 49 49 ASP H H 49 7.298 7.298 7.975 -0.677 18433 4256 1 10 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.489 -0.321 18433 4257 1 10 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.689 -0.777 18433 4258 1 10 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.776 -1.029 18433 4259 1 10 . 1 1 51 51 MET N N 51 121.983 121.983 121.646 0.337 18433 4260 1 10 . 1 1 51 51 MET HA H 51 4.492 4.492 4.621 -0.129 18433 4261 1 10 . 1 1 51 51 MET CA C 51 55.165 55.165 54.496 0.669 18433 4262 1 10 . 1 1 51 51 MET CB C 51 33.974 33.974 35.192 -1.218 18433 4263 1 10 . 1 1 51 51 MET H H 51 9.258 9.258 8.445 0.813 18433 4264 1 10 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.716 0.116 18433 4265 1 10 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.383 0.116 18433 4266 1 10 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.306 0.416 18433 4267 1 10 . 1 1 53 53 GLU N N 53 116.755 116.755 119.073 -2.318 18433 4268 1 10 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.140 -0.075 18433 4269 1 10 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.358 0.813 18433 4270 1 10 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.806 0.838 18433 4271 1 10 . 1 1 53 53 GLU H H 53 9.834 9.834 8.663 1.171 18433 4272 1 10 . 1 1 54 54 ASP N N 54 117.972 117.972 119.181 -1.209 18433 4273 1 10 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.343 0.655 18433 4274 1 10 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.240 0.821 18433 4275 1 10 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.528 1.738 18433 4276 1 10 . 1 1 54 54 ASP H H 54 7.348 7.348 8.334 -0.986 18433 4277 1 10 . 1 1 55 55 ILE N N 55 122.004 122.004 119.792 2.212 18433 4278 1 10 . 1 1 55 55 ILE HA H 55 3.935 3.935 4.015 -0.080 18433 4279 1 10 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.621 1.910 18433 4280 1 10 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.017 0.122 18433 4281 1 10 . 1 1 55 55 ILE H H 55 8.081 8.081 8.139 -0.058 18433 4282 1 10 . 1 1 56 56 LEU N N 56 117.547 117.547 120.790 -3.243 18433 4283 1 10 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.151 -0.001 18433 4284 1 10 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.181 -0.246 18433 4285 1 10 . 1 1 56 56 LEU CB C 56 40.977 40.977 41.594 -0.617 18433 4286 1 10 . 1 1 56 56 LEU H H 56 8.770 8.770 7.753 1.017 18433 4287 1 10 . 1 1 57 57 GLN N N 57 119.917 119.917 117.277 2.640 18433 4288 1 10 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.025 0.041 18433 4289 1 10 . 1 1 57 57 GLN CA C 57 60.371 60.371 59.003 1.368 18433 4290 1 10 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.398 -0.458 18433 4291 1 10 . 1 1 57 57 GLN H H 57 7.734 7.734 7.967 -0.233 18433 4292 1 10 . 1 1 58 58 VAL N N 58 122.347 122.347 118.415 3.932 18433 4293 1 10 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.764 -0.149 18433 4294 1 10 . 1 1 58 58 VAL CA C 58 67.230 67.230 66.206 1.024 18433 4295 1 10 . 1 1 58 58 VAL CB C 58 31.272 31.272 31.746 -0.474 18433 4296 1 10 . 1 1 58 58 VAL H H 58 7.727 7.727 7.312 0.415 18433 4297 1 10 . 1 1 59 59 VAL N N 59 121.131 121.131 121.294 -0.163 18433 4298 1 10 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.648 -0.242 18433 4299 1 10 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.776 1.272 18433 4300 1 10 . 1 1 59 59 VAL CB C 59 31.542 31.542 31.448 0.094 18433 4301 1 10 . 1 1 59 59 VAL H H 59 8.341 8.341 7.668 0.673 18433 4302 1 10 . 1 1 60 60 ARG N N 60 120.942 120.942 118.037 2.905 18433 4303 1 10 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.164 -0.049 18433 4304 1 10 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.253 0.160 18433 4305 1 10 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.476 0.265 18433 4306 1 10 . 1 1 60 60 ARG H H 60 8.457 8.457 7.953 0.504 18433 4307 1 10 . 1 1 61 61 TYR N N 61 120.718 120.718 121.772 -1.054 18433 4308 1 10 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.348 0.218 18433 4309 1 10 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.451 -0.697 18433 4310 1 10 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.581 -0.228 18433 4311 1 10 . 1 1 61 61 TYR H H 61 7.833 7.833 7.479 0.354 18433 4312 1 10 . 1 1 62 62 CYS N N 62 114.924 114.924 117.384 -2.460 18433 4313 1 10 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.829 -0.156 18433 4314 1 10 . 1 1 62 62 CYS CA C 62 64.281 64.281 64.245 0.036 18433 4315 1 10 . 1 1 62 62 CYS CB C 62 27.717 27.717 28.808 -1.091 18433 4316 1 10 . 1 1 62 62 CYS H H 62 8.079 8.079 8.335 -0.256 18433 4317 1 10 . 1 1 63 63 THR N N 63 114.103 114.103 113.279 0.824 18433 4318 1 10 . 1 1 63 63 THR HA H 63 3.852 3.852 3.966 -0.114 18433 4319 1 10 . 1 1 63 63 THR CA C 63 66.871 66.871 66.175 0.696 18433 4320 1 10 . 1 1 63 63 THR CB C 63 67.762 67.762 68.050 -0.288 18433 4321 1 10 . 1 1 63 63 THR H H 63 8.721 8.721 8.467 0.254 18433 4322 1 10 . 1 1 64 64 ASP N N 64 126.664 126.664 122.436 4.228 18433 4323 1 10 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.549 -0.128 18433 4324 1 10 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.706 1.078 18433 4325 1 10 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.410 -1.169 18433 4326 1 10 . 1 1 64 64 ASP H H 64 8.771 8.771 7.556 1.215 18433 4327 1 10 . 1 1 65 65 LEU N N 65 119.722 119.722 120.965 -1.243 18433 4328 1 10 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.949 -0.077 18433 4329 1 10 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.809 0.442 18433 4330 1 10 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.615 -0.126 18433 4331 1 10 . 1 1 65 65 LEU H H 65 7.850 7.850 7.508 0.342 18433 4332 1 10 . 1 1 66 66 ILE N N 66 119.189 119.189 118.758 0.431 18433 4333 1 10 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.839 -0.441 18433 4334 1 10 . 1 1 66 66 ILE CA C 66 66.198 66.198 66.040 0.158 18433 4335 1 10 . 1 1 66 66 ILE CB C 66 37.730 37.730 38.010 -0.280 18433 4336 1 10 . 1 1 66 66 ILE H H 66 7.636 7.636 7.516 0.120 18433 4337 1 10 . 1 1 67 67 GLU N N 67 123.166 123.166 118.141 5.025 18433 4338 1 10 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.071 -0.076 18433 4339 1 10 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.552 1.043 18433 4340 1 10 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.555 -0.372 18433 4341 1 10 . 1 1 67 67 GLU H H 67 8.512 8.512 7.566 0.946 18433 4342 1 10 . 1 1 68 68 GLU N N 68 116.524 116.524 116.504 0.020 18433 4343 1 10 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.299 -0.004 18433 4344 1 10 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.182 -0.404 18433 4345 1 10 . 1 1 68 68 GLU CB C 68 29.535 29.535 30.048 -0.513 18433 4346 1 10 . 1 1 68 68 GLU H H 68 7.633 7.633 8.173 -0.540 18433 4347 1 10 . 1 1 69 69 LYS N N 69 116.625 116.625 115.112 1.513 18433 4348 1 10 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.102 -0.457 18433 4349 1 10 . 1 1 69 69 LYS CA C 69 57.369 57.369 56.917 0.452 18433 4350 1 10 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.271 0.529 18433 4351 1 10 . 1 1 69 69 LYS H H 69 8.066 8.066 7.868 0.198 18433 4352 1 10 . 1 1 70 70 ASP N N 70 122.727 122.727 118.547 4.180 18433 4353 1 10 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.856 0.184 18433 4354 1 10 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.468 -2.072 18433 4355 1 10 . 1 1 70 70 ASP CB C 70 38.761 38.761 41.164 -2.403 18433 4356 1 10 . 1 1 70 70 ASP H H 70 8.483 8.483 8.519 -0.036 18433 4357 1 10 . 1 1 71 71 LEU N N 71 119.712 119.712 120.194 -0.482 18433 4358 1 10 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.801 0.080 18433 4359 1 10 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.734 -1.222 18433 4360 1 10 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.180 -0.933 18433 4361 1 10 . 1 1 71 71 LEU H H 71 7.515 7.515 8.238 -0.723 18433 4362 1 10 . 1 1 72 72 GLU N N 72 121.320 121.320 119.933 1.387 18433 4363 1 10 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.860 0.188 18433 4364 1 10 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.437 0.069 18433 4365 1 10 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.259 0.060 18433 4366 1 10 . 1 1 72 72 GLU H H 72 8.561 8.561 8.587 -0.026 18433 4367 1 10 . 1 1 73 73 LYS N N 73 119.338 119.338 118.109 1.229 18433 4368 1 10 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.936 -0.199 18433 4369 1 10 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.302 1.206 18433 4370 1 10 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.258 0.111 18433 4371 1 10 . 1 1 73 73 LYS H H 73 7.448 7.448 7.599 -0.151 18433 4372 1 10 . 1 1 74 74 LEU N N 74 117.830 117.830 123.816 -5.986 18433 4373 1 10 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.002 -0.122 18433 4374 1 10 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.572 -0.630 18433 4375 1 10 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.715 -0.219 18433 4376 1 10 . 1 1 74 74 LEU H H 74 7.516 7.516 7.436 0.080 18433 4377 1 10 . 1 1 75 75 ASP N N 75 117.736 117.736 118.677 -0.941 18433 4378 1 10 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.416 -0.174 18433 4379 1 10 . 1 1 75 75 ASP CA C 75 57.852 57.852 57.395 0.457 18433 4380 1 10 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.672 1.651 18433 4381 1 10 . 1 1 75 75 ASP H H 75 7.828 7.828 7.932 -0.104 18433 4382 1 10 . 1 1 76 76 LEU N N 76 116.254 116.254 120.077 -3.823 18433 4383 1 10 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.170 -0.260 18433 4384 1 10 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.725 0.232 18433 4385 1 10 . 1 1 76 76 LEU CB C 76 41.827 41.827 42.024 -0.197 18433 4386 1 10 . 1 1 76 76 LEU H H 76 7.454 7.454 7.263 0.191 18433 4387 1 10 . 1 1 77 77 VAL N N 77 120.653 120.653 118.746 1.907 18433 4388 1 10 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.930 0.034 18433 4389 1 10 . 1 1 77 77 VAL CA C 77 66.879 66.879 65.972 0.906 18433 4390 1 10 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.016 1.003 18433 4391 1 10 . 1 1 77 77 VAL H H 77 8.626 8.626 8.605 0.021 18433 4392 1 10 . 1 1 78 78 ILE N N 78 122.189 122.189 120.664 1.525 18433 4393 1 10 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.999 -0.013 18433 4394 1 10 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.478 -0.638 18433 4395 1 10 . 1 1 78 78 ILE CB C 78 35.672 35.672 37.093 -1.421 18433 4396 1 10 . 1 1 78 78 ILE H H 78 8.755 8.755 8.932 -0.177 18433 4397 1 10 . 1 1 79 79 LYS N N 79 119.030 119.030 120.499 -1.469 18433 4398 1 10 . 1 1 79 79 LYS HA H 79 3.881 3.881 4.001 -0.120 18433 4399 1 10 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.925 1.513 18433 4400 1 10 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.658 0.964 18433 4401 1 10 . 1 1 79 79 LYS H H 79 8.413 8.413 8.030 0.383 18433 4402 1 10 . 1 1 80 80 TYR N N 80 121.226 121.226 121.291 -0.065 18433 4403 1 10 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.271 0.037 18433 4404 1 10 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.319 0.685 18433 4405 1 10 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.404 -0.393 18433 4406 1 10 . 1 1 80 80 TYR H H 80 8.205 8.205 7.870 0.335 18433 4407 1 10 . 1 1 81 81 MET N N 81 116.428 116.428 117.759 -1.331 18433 4408 1 10 . 1 1 81 81 MET HA H 81 3.711 3.711 4.170 -0.459 18433 4409 1 10 . 1 1 81 81 MET CA C 81 60.733 60.733 58.943 1.790 18433 4410 1 10 . 1 1 81 81 MET CB C 81 33.894 33.894 32.969 0.925 18433 4411 1 10 . 1 1 81 81 MET H H 81 8.578 8.578 8.466 0.112 18433 4412 1 10 . 1 1 82 82 LYS N N 82 119.778 119.778 119.117 0.661 18433 4413 1 10 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.365 -0.672 18433 4414 1 10 . 1 1 82 82 LYS CA C 82 59.983 59.983 58.552 1.431 18433 4415 1 10 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.002 1.789 18433 4416 1 10 . 1 1 82 82 LYS H H 82 8.594 8.594 8.409 0.185 18433 4417 1 10 . 1 1 83 83 ARG N N 83 116.474 116.474 119.411 -2.937 18433 4418 1 10 . 1 1 83 83 ARG HA H 83 3.854 3.854 4.052 -0.198 18433 4419 1 10 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.528 -0.047 18433 4420 1 10 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.636 -0.034 18433 4421 1 10 . 1 1 83 83 ARG H H 83 7.145 7.145 7.361 -0.216 18433 4422 1 10 . 1 1 84 84 LEU N N 84 116.576 116.576 120.908 -4.332 18433 4423 1 10 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.934 -0.106 18433 4424 1 10 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.122 -0.188 18433 4425 1 10 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.910 1.129 18433 4426 1 10 . 1 1 84 84 LEU H H 84 7.284 7.284 7.062 0.222 18433 4427 1 10 . 1 1 85 85 MET N N 85 115.841 115.841 115.124 0.717 18433 4428 1 10 . 1 1 85 85 MET HA H 85 3.756 3.756 3.635 0.121 18433 4429 1 10 . 1 1 85 85 MET CA C 85 59.260 59.260 58.560 0.700 18433 4430 1 10 . 1 1 85 85 MET CB C 85 32.487 32.487 32.383 0.104 18433 4431 1 10 . 1 1 85 85 MET H H 85 8.683 8.683 7.752 0.931 18433 4432 1 10 . 1 1 86 86 GLN N N 86 114.640 114.640 114.952 -0.312 18433 4433 1 10 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.094 0.267 18433 4434 1 10 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.829 -0.972 18433 4435 1 10 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.327 -1.697 18433 4436 1 10 . 1 1 86 86 GLN H H 86 7.513 7.513 7.446 0.067 18433 4437 1 10 . 1 1 87 87 GLN N N 87 117.352 117.352 116.947 0.405 18433 4438 1 10 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.104 0.118 18433 4439 1 10 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.558 -0.224 18433 4440 1 10 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.846 0.293 18433 4441 1 10 . 1 1 87 87 GLN H H 87 7.277 7.277 7.576 -0.299 18433 4442 1 10 . 1 1 88 88 SER N N 88 113.778 113.778 116.284 -2.506 18433 4443 1 10 . 1 1 88 88 SER HA H 88 4.431 4.431 4.287 0.144 18433 4444 1 10 . 1 1 88 88 SER CA C 88 58.372 58.372 59.009 -0.637 18433 4445 1 10 . 1 1 88 88 SER CB C 88 63.525 63.525 64.147 -0.621 18433 4446 1 10 . 1 1 88 88 SER H H 88 7.482 7.482 7.679 -0.197 18433 4447 1 10 . 1 1 89 89 VAL N N 89 120.934 120.934 114.369 6.565 18433 4448 1 10 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.150 0.013 18433 4449 1 10 . 1 1 89 89 VAL CA C 89 62.661 62.661 63.583 -0.922 18433 4450 1 10 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.072 -0.099 18433 4451 1 10 . 1 1 89 89 VAL H H 89 8.188 8.188 8.430 -0.242 18433 4452 1 10 . 1 1 90 90 GLU N N 90 120.714 120.714 120.378 0.336 18433 4453 1 10 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.546 -0.105 18433 4454 1 10 . 1 1 90 90 GLU CA C 90 55.945 55.945 55.584 0.360 18433 4455 1 10 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.611 -0.004 18433 4456 1 10 . 1 1 90 90 GLU H H 90 8.411 8.411 8.126 0.285 18433 4457 1 10 . 1 1 91 91 SER HA H 91 4.451 4.451 4.217 0.234 18433 4458 1 10 . 1 1 91 91 SER CA C 91 59.681 59.681 60.990 -1.310 18433 4459 1 10 . 1 1 91 91 SER CB C 91 63.893 63.893 63.301 0.592 18433 4460 1 10 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.784 0.228 18433 4461 1 10 . 1 1 92 92 VAL CA C 92 64.738 64.738 64.678 0.060 18433 4462 1 10 . 1 1 92 92 VAL CB C 92 31.013 31.013 30.783 0.230 18433 4463 1 10 . 1 1 93 93 TRP N N 93 121.614 121.614 120.220 1.394 18433 4464 1 10 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.365 0.134 18433 4465 1 10 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.345 -0.669 18433 4466 1 10 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.716 0.141 18433 4467 1 10 . 1 1 93 93 TRP H H 93 7.551 7.551 7.468 0.083 18433 4468 1 10 . 1 1 94 94 ASN N N 94 119.013 119.013 117.765 1.248 18433 4469 1 10 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.482 -0.087 18433 4470 1 10 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.881 0.357 18433 4471 1 10 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.603 0.144 18433 4472 1 10 . 1 1 94 94 ASN H H 94 7.794 7.794 8.043 -0.249 18433 4473 1 10 . 1 1 95 95 MET N N 95 117.158 117.158 118.305 -1.147 18433 4474 1 10 . 1 1 95 95 MET HA H 95 4.346 4.346 4.389 -0.043 18433 4475 1 10 . 1 1 95 95 MET CA C 95 58.445 58.445 58.916 -0.471 18433 4476 1 10 . 1 1 95 95 MET CB C 95 32.436 32.436 32.484 -0.048 18433 4477 1 10 . 1 1 95 95 MET H H 95 7.751 7.751 7.581 0.170 18433 4478 1 10 . 1 1 96 96 ALA N N 96 123.406 123.406 123.056 0.350 18433 4479 1 10 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.139 0.068 18433 4480 1 10 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.237 0.208 18433 4481 1 10 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.133 -0.628 18433 4482 1 10 . 1 1 96 96 ALA H H 96 7.920 7.920 7.649 0.271 18433 4483 1 10 . 1 1 97 97 PHE N N 97 117.830 117.830 119.207 -1.377 18433 4484 1 10 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.381 -0.177 18433 4485 1 10 . 1 1 97 97 PHE CA C 97 62.853 62.853 60.236 2.618 18433 4486 1 10 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.111 -0.964 18433 4487 1 10 . 1 1 97 97 PHE H H 97 8.431 8.431 8.050 0.381 18433 4488 1 10 . 1 1 98 98 ASP N N 98 118.570 118.570 120.062 -1.492 18433 4489 1 10 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.059 0.189 18433 4490 1 10 . 1 1 98 98 ASP CA C 98 57.702 57.702 56.951 0.751 18433 4491 1 10 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.619 -0.219 18433 4492 1 10 . 1 1 98 98 ASP H H 98 7.805 7.805 7.749 0.056 18433 4493 1 10 . 1 1 99 99 PHE N N 99 119.874 119.874 120.733 -0.859 18433 4494 1 10 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.128 0.166 18433 4495 1 10 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.663 -0.480 18433 4496 1 10 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.224 0.258 18433 4497 1 10 . 1 1 99 99 PHE H H 99 7.920 7.920 8.026 -0.106 18433 4498 1 10 . 1 1 100 100 ILE N N 100 122.589 122.589 119.275 3.314 18433 4499 1 10 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.481 -0.078 18433 4500 1 10 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.730 0.367 18433 4501 1 10 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.974 0.718 18433 4502 1 10 . 1 1 100 100 ILE H H 100 8.573 8.573 7.647 0.926 18433 4503 1 10 . 1 1 101 101 LEU N N 101 119.531 119.531 119.953 -0.422 18433 4504 1 10 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.787 -0.073 18433 4505 1 10 . 1 1 101 101 LEU CA C 101 57.998 57.998 57.817 0.181 18433 4506 1 10 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.154 -0.447 18433 4507 1 10 . 1 1 101 101 LEU H H 101 8.716 8.716 7.576 1.140 18433 4508 1 10 . 1 1 102 102 ASP N N 102 118.371 118.371 118.585 -0.214 18433 4509 1 10 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.336 -0.085 18433 4510 1 10 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.817 0.676 18433 4511 1 10 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.771 0.008 18433 4512 1 10 . 1 1 102 102 ASP H H 102 8.343 8.343 8.397 -0.054 18433 4513 1 10 . 1 1 103 103 ASN N N 103 115.409 115.409 115.973 -0.564 18433 4514 1 10 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.633 -0.500 18433 4515 1 10 . 1 1 103 103 ASN CA C 103 57.079 57.079 54.949 2.130 18433 4516 1 10 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.322 -0.332 18433 4517 1 10 . 1 1 103 103 ASN H H 103 7.393 7.393 7.343 0.050 18433 4518 1 10 . 1 1 104 104 VAL N N 104 119.972 119.972 122.100 -2.128 18433 4519 1 10 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.774 -0.357 18433 4520 1 10 . 1 1 104 104 VAL CA C 104 66.949 66.949 66.677 0.272 18433 4521 1 10 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.454 0.368 18433 4522 1 10 . 1 1 104 104 VAL H H 104 8.299 8.299 8.483 -0.184 18433 4523 1 10 . 1 1 105 105 GLN N N 105 118.449 118.449 118.178 0.271 18433 4524 1 10 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.995 0.399 18433 4525 1 10 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.823 0.197 18433 4526 1 10 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.908 0.682 18433 4527 1 10 . 1 1 105 105 GLN H H 105 8.763 8.763 8.073 0.690 18433 4528 1 10 . 1 1 106 106 VAL N N 106 118.643 118.643 119.836 -1.193 18433 4529 1 10 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.755 -0.041 18433 4530 1 10 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.193 0.215 18433 4531 1 10 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.582 0.115 18433 4532 1 10 . 1 1 106 106 VAL H H 106 7.607 7.607 7.632 -0.025 18433 4533 1 10 . 1 1 107 107 VAL N N 107 120.205 120.205 119.465 0.740 18433 4534 1 10 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.726 0.003 18433 4535 1 10 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.588 0.785 18433 4536 1 10 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.880 -0.562 18433 4537 1 10 . 1 1 107 107 VAL H H 107 7.329 7.329 7.265 0.064 18433 4538 1 10 . 1 1 108 108 LEU N N 108 123.706 123.706 118.911 4.795 18433 4539 1 10 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.293 -0.270 18433 4540 1 10 . 1 1 108 108 LEU CA C 108 58.902 58.902 57.916 0.986 18433 4541 1 10 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.674 0.301 18433 4542 1 10 . 1 1 108 108 LEU H H 108 8.742 8.742 8.318 0.424 18433 4543 1 10 . 1 1 109 109 GLN N N 109 119.622 119.622 118.938 0.684 18433 4544 1 10 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.135 -0.154 18433 4545 1 10 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.835 0.231 18433 4546 1 10 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.730 -0.463 18433 4547 1 10 . 1 1 109 109 GLN H H 109 8.456 8.456 7.913 0.543 18433 4548 1 10 . 1 1 110 110 GLN N N 110 117.492 117.492 117.069 0.423 18433 4549 1 10 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.085 -0.011 18433 4550 1 10 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.190 -0.114 18433 4551 1 10 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.587 0.105 18433 4552 1 10 . 1 1 110 110 GLN H H 110 8.060 8.060 7.807 0.253 18433 4553 1 10 . 1 1 111 111 THR N N 111 112.944 112.944 114.363 -1.419 18433 4554 1 10 . 1 1 111 111 THR HA H 111 4.017 4.017 4.081 -0.064 18433 4555 1 10 . 1 1 111 111 THR CA C 111 65.020 65.020 64.637 0.383 18433 4556 1 10 . 1 1 111 111 THR CB C 111 69.543 69.543 69.730 -0.187 18433 4557 1 10 . 1 1 111 111 THR H H 111 7.934 7.934 7.552 0.382 18433 4558 1 10 . 1 1 112 112 TYR N N 112 118.273 118.273 117.753 0.520 18433 4559 1 10 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.496 0.201 18433 4560 1 10 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.421 -0.001 18433 4561 1 10 . 1 1 112 112 TYR CB C 112 40.341 40.341 40.281 0.060 18433 4562 1 10 . 1 1 112 112 TYR H H 112 8.404 8.404 8.201 0.203 18433 4563 1 10 . 1 1 113 113 GLY N N 113 109.593 109.593 106.027 3.566 18433 4564 1 10 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.057 0.952 18433 4565 1 10 . 1 1 113 113 GLY H H 113 7.990 7.990 8.007 -0.017 18433 4566 1 10 . 1 1 114 114 SER N N 114 113.965 113.965 115.753 -1.788 18433 4567 1 10 . 1 1 114 114 SER HA H 114 4.630 4.630 4.635 -0.005 18433 4568 1 10 . 1 1 114 114 SER CA C 114 57.356 57.356 57.833 -0.477 18433 4569 1 10 . 1 1 114 114 SER CB C 114 64.543 64.543 65.011 -0.468 18433 4570 1 10 . 1 1 114 114 SER H H 114 7.636 7.636 7.986 -0.350 18433 4571 1 10 . 1 1 115 115 THR N N 115 110.456 110.456 108.949 1.507 18433 4572 1 10 . 1 1 115 115 THR HA H 115 4.406 4.406 4.658 -0.252 18433 4573 1 10 . 1 1 115 115 THR CA C 115 61.125 61.125 61.196 -0.071 18433 4574 1 10 . 1 1 115 115 THR CB C 115 70.288 70.288 71.199 -0.911 18433 4575 1 10 . 1 1 115 115 THR H H 115 7.828 7.828 8.007 -0.179 18433 4576 1 10 . 1 1 116 116 LEU N N 116 123.832 123.832 121.583 2.249 18433 4577 1 10 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.573 -0.267 18433 4578 1 10 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.372 0.511 18433 4579 1 10 . 1 1 116 116 LEU CB C 116 42.795 42.795 44.223 -1.428 18433 4580 1 10 . 1 1 116 116 LEU H H 116 8.741 8.741 8.439 0.302 18433 4581 1 10 . 1 1 117 117 LYS N N 117 124.713 124.713 124.013 0.700 18433 4582 1 10 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.469 -0.056 18433 4583 1 10 . 1 1 117 117 LYS CA C 117 55.551 55.551 55.760 -0.209 18433 4584 1 10 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.607 0.944 18433 4585 1 10 . 1 1 117 117 LYS H H 117 8.479 8.479 8.560 -0.081 18433 4586 1 10 . 1 1 118 118 VAL N N 118 122.419 122.419 124.485 -2.066 18433 4587 1 10 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.668 -0.426 18433 4588 1 10 . 1 1 118 118 VAL CA C 118 61.955 61.955 60.351 1.604 18433 4589 1 10 . 1 1 118 118 VAL CB C 118 32.837 32.837 31.118 1.719 18433 4590 1 10 . 1 1 118 118 VAL H H 118 8.268 8.268 8.533 -0.265 18433 4591 1 11 . 1 1 24 24 ALA N N 24 123.308 123.308 123.858 -0.550 18433 4592 1 11 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.843 -0.299 18433 4593 1 11 . 1 1 24 24 ALA CA C 24 50.311 50.311 50.054 0.257 18433 4594 1 11 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.325 -0.728 18433 4595 1 11 . 1 1 24 24 ALA H H 24 7.820 7.820 8.257 -0.437 18433 4596 1 11 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.499 0.139 18433 4597 1 11 . 1 1 25 25 PRO CA C 25 63.251 63.251 63.039 0.211 18433 4598 1 11 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.436 1.426 18433 4599 1 11 . 1 1 26 26 ASN N N 26 120.016 120.016 121.130 -1.114 18433 4600 1 11 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.445 -0.218 18433 4601 1 11 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.113 0.510 18433 4602 1 11 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.077 2.062 18433 4603 1 11 . 1 1 26 26 ASN H H 26 9.079 9.079 8.144 0.935 18433 4604 1 11 . 1 1 27 27 LEU N N 27 123.375 123.375 124.316 -0.941 18433 4605 1 11 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.489 -0.252 18433 4606 1 11 . 1 1 27 27 LEU CA C 27 52.303 52.303 52.976 -0.673 18433 4607 1 11 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.419 0.398 18433 4608 1 11 . 1 1 27 27 LEU H H 27 8.098 8.098 8.509 -0.411 18433 4609 1 11 . 1 1 28 28 ALA N N 28 126.889 126.889 128.673 -1.784 18433 4610 1 11 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.973 -0.299 18433 4611 1 11 . 1 1 28 28 ALA CA C 28 52.381 52.381 52.642 -0.261 18433 4612 1 11 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.069 1.860 18433 4613 1 11 . 1 1 28 28 ALA H H 28 9.215 9.215 8.982 0.233 18433 4614 1 11 . 1 1 29 29 GLY N N 29 102.532 102.532 101.803 0.729 18433 4615 1 11 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.723 0.115 18433 4616 1 11 . 1 1 29 29 GLY H H 29 7.943 7.943 8.308 -0.365 18433 4617 1 11 . 1 1 30 30 ALA N N 30 125.002 125.002 122.352 2.650 18433 4618 1 11 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.649 -0.398 18433 4619 1 11 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.686 1.462 18433 4620 1 11 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.188 -0.754 18433 4621 1 11 . 1 1 30 30 ALA H H 30 8.040 8.040 7.522 0.518 18433 4622 1 11 . 1 1 31 31 VAL N N 31 119.492 119.492 124.838 -5.346 18433 4623 1 11 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.150 0.118 18433 4624 1 11 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.971 -1.573 18433 4625 1 11 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.550 2.408 18433 4626 1 11 . 1 1 31 31 VAL H H 31 8.415 8.415 8.665 -0.250 18433 4627 1 11 . 1 1 32 32 GLU N N 32 122.142 122.142 119.361 2.781 18433 4628 1 11 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.331 -0.057 18433 4629 1 11 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.343 -0.147 18433 4630 1 11 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.156 -0.817 18433 4631 1 11 . 1 1 32 32 GLU H H 32 8.757 8.757 8.130 0.627 18433 4632 1 11 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.196 0.059 18433 4633 1 11 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.478 -0.142 18433 4634 1 11 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.195 -0.551 18433 4635 1 11 . 1 1 34 34 SER N N 34 112.028 112.028 113.437 -1.409 18433 4636 1 11 . 1 1 34 34 SER HA H 34 3.652 3.652 3.761 -0.109 18433 4637 1 11 . 1 1 34 34 SER CA C 34 61.642 61.642 61.498 0.144 18433 4638 1 11 . 1 1 34 34 SER CB C 34 61.807 61.807 61.797 0.010 18433 4639 1 11 . 1 1 34 34 SER H H 34 8.902 8.902 8.487 0.415 18433 4640 1 11 . 1 1 35 35 ASP N N 35 121.321 121.321 120.776 0.545 18433 4641 1 11 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.471 0.027 18433 4642 1 11 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.720 -0.160 18433 4643 1 11 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.343 0.884 18433 4644 1 11 . 1 1 35 35 ASP H H 35 6.930 6.930 7.558 -0.628 18433 4645 1 11 . 1 1 36 36 VAL N N 36 123.532 123.532 119.831 3.701 18433 4646 1 11 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.475 -0.227 18433 4647 1 11 . 1 1 36 36 VAL CA C 36 67.358 67.358 66.075 1.283 18433 4648 1 11 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.512 0.580 18433 4649 1 11 . 1 1 36 36 VAL H H 36 8.014 8.014 7.552 0.462 18433 4650 1 11 . 1 1 37 37 LYS N N 37 118.036 118.036 117.937 0.099 18433 4651 1 11 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.631 -0.164 18433 4652 1 11 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.347 0.902 18433 4653 1 11 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.528 0.781 18433 4654 1 11 . 1 1 37 37 LYS H H 37 8.384 8.384 7.897 0.487 18433 4655 1 11 . 1 1 38 38 THR N N 38 115.765 115.765 116.948 -1.183 18433 4656 1 11 . 1 1 38 38 THR HA H 38 3.872 3.872 4.060 -0.188 18433 4657 1 11 . 1 1 38 38 THR CA C 38 66.652 66.652 66.126 0.526 18433 4658 1 11 . 1 1 38 38 THR CB C 38 68.664 68.664 68.716 -0.052 18433 4659 1 11 . 1 1 38 38 THR H H 38 7.344 7.344 7.340 0.004 18433 4660 1 11 . 1 1 39 39 LEU N N 39 123.362 123.362 121.517 1.845 18433 4661 1 11 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.337 0.010 18433 4662 1 11 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.556 0.701 18433 4663 1 11 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.761 1.545 18433 4664 1 11 . 1 1 39 39 LEU H H 39 7.701 7.701 7.380 0.321 18433 4665 1 11 . 1 1 40 40 LEU N N 40 118.128 118.128 119.975 -1.847 18433 4666 1 11 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.170 0.205 18433 4667 1 11 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.347 -0.036 18433 4668 1 11 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.477 1.311 18433 4669 1 11 . 1 1 40 40 LEU H H 40 8.434 8.434 7.842 0.592 18433 4670 1 11 . 1 1 41 41 LYS N N 41 117.838 117.838 119.205 -1.367 18433 4671 1 11 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.846 0.016 18433 4672 1 11 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.923 -0.027 18433 4673 1 11 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.624 -0.928 18433 4674 1 11 . 1 1 41 41 LYS H H 41 8.571 8.571 8.435 0.136 18433 4675 1 11 . 1 1 42 42 GLU N N 42 122.248 122.248 117.370 4.878 18433 4676 1 11 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.210 -0.319 18433 4677 1 11 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.278 1.668 18433 4678 1 11 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.333 0.270 18433 4679 1 11 . 1 1 42 42 GLU H H 42 8.276 8.276 7.794 0.482 18433 4680 1 11 . 1 1 43 43 TRP N N 43 123.115 123.115 121.897 1.218 18433 4681 1 11 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.463 -1.438 18433 4682 1 11 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.599 -1.794 18433 4683 1 11 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.427 -0.775 18433 4684 1 11 . 1 1 43 43 TRP H H 43 8.318 8.318 8.010 0.308 18433 4685 1 11 . 1 1 44 44 ILE N N 44 112.941 112.941 113.827 -0.886 18433 4686 1 11 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.303 -0.764 18433 4687 1 11 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.067 1.374 18433 4688 1 11 . 1 1 44 44 ILE CB C 44 38.393 38.393 38.321 0.073 18433 4689 1 11 . 1 1 44 44 ILE H H 44 7.567 7.567 7.424 0.143 18433 4690 1 11 . 1 1 45 45 THR N N 45 106.451 106.451 113.157 -6.706 18433 4691 1 11 . 1 1 45 45 THR HA H 45 4.080 4.080 4.238 -0.158 18433 4692 1 11 . 1 1 45 45 THR CA C 45 63.681 63.681 64.000 -0.319 18433 4693 1 11 . 1 1 45 45 THR CB C 45 70.147 70.147 69.652 0.495 18433 4694 1 11 . 1 1 45 45 THR H H 45 7.653 7.653 7.600 0.053 18433 4695 1 11 . 1 1 46 46 THR N N 46 110.600 110.600 116.834 -6.234 18433 4696 1 11 . 1 1 46 46 THR HA H 46 4.557 4.557 4.237 0.320 18433 4697 1 11 . 1 1 46 46 THR CA C 46 62.972 62.972 65.210 -2.238 18433 4698 1 11 . 1 1 46 46 THR CB C 46 71.039 71.039 69.380 1.659 18433 4699 1 11 . 1 1 46 46 THR H H 46 7.502 7.502 8.122 -0.620 18433 4700 1 11 . 1 1 47 47 ILE N N 47 124.370 124.370 120.238 4.132 18433 4701 1 11 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.337 0.136 18433 4702 1 11 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.818 -2.215 18433 4703 1 11 . 1 1 47 47 ILE CB C 47 36.501 36.501 41.073 -4.572 18433 4704 1 11 . 1 1 47 47 ILE H H 47 7.533 7.533 7.356 0.177 18433 4705 1 11 . 1 1 48 48 SER N N 48 119.846 119.846 120.138 -0.292 18433 4706 1 11 . 1 1 48 48 SER HA H 48 4.498 4.498 4.841 -0.343 18433 4707 1 11 . 1 1 48 48 SER CA C 48 59.280 59.280 58.967 0.313 18433 4708 1 11 . 1 1 48 48 SER CB C 48 63.813 63.813 64.604 -0.791 18433 4709 1 11 . 1 1 48 48 SER H H 48 8.423 8.423 8.819 -0.396 18433 4710 1 11 . 1 1 49 49 ASP N N 49 119.475 119.475 120.604 -1.129 18433 4711 1 11 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.734 0.065 18433 4712 1 11 . 1 1 49 49 ASP CA C 49 50.804 50.804 50.944 -0.140 18433 4713 1 11 . 1 1 49 49 ASP CB C 49 41.481 41.481 40.824 0.657 18433 4714 1 11 . 1 1 49 49 ASP H H 49 7.298 7.298 7.841 -0.543 18433 4715 1 11 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.498 -0.330 18433 4716 1 11 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.725 -0.813 18433 4717 1 11 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.291 -0.544 18433 4718 1 11 . 1 1 51 51 MET N N 51 121.983 121.983 122.256 -0.273 18433 4719 1 11 . 1 1 51 51 MET HA H 51 4.492 4.492 4.519 -0.027 18433 4720 1 11 . 1 1 51 51 MET CA C 51 55.165 55.165 54.894 0.271 18433 4721 1 11 . 1 1 51 51 MET CB C 51 33.974 33.974 34.301 -0.327 18433 4722 1 11 . 1 1 51 51 MET H H 51 9.258 9.258 8.216 1.042 18433 4723 1 11 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.794 0.038 18433 4724 1 11 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.149 0.350 18433 4725 1 11 . 1 1 52 52 GLU CB C 52 29.723 29.723 28.919 0.804 18433 4726 1 11 . 1 1 53 53 GLU N N 53 116.755 116.755 118.657 -1.902 18433 4727 1 11 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.077 -0.012 18433 4728 1 11 . 1 1 53 53 GLU CA C 53 60.171 60.171 60.206 -0.035 18433 4729 1 11 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.860 0.784 18433 4730 1 11 . 1 1 53 53 GLU H H 53 9.834 9.834 8.714 1.120 18433 4731 1 11 . 1 1 54 54 ASP N N 54 117.972 117.972 118.182 -0.210 18433 4732 1 11 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.328 0.670 18433 4733 1 11 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.159 0.902 18433 4734 1 11 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.494 1.772 18433 4735 1 11 . 1 1 54 54 ASP H H 54 7.348 7.348 8.440 -1.092 18433 4736 1 11 . 1 1 55 55 ILE N N 55 122.004 122.004 120.119 1.885 18433 4737 1 11 . 1 1 55 55 ILE HA H 55 3.935 3.935 3.953 -0.018 18433 4738 1 11 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.798 1.733 18433 4739 1 11 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.457 -0.318 18433 4740 1 11 . 1 1 55 55 ILE H H 55 8.081 8.081 7.721 0.360 18433 4741 1 11 . 1 1 56 56 LEU N N 56 117.547 117.547 120.543 -2.996 18433 4742 1 11 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.072 0.078 18433 4743 1 11 . 1 1 56 56 LEU CA C 56 57.935 57.935 57.968 -0.032 18433 4744 1 11 . 1 1 56 56 LEU CB C 56 40.977 40.977 40.197 0.780 18433 4745 1 11 . 1 1 56 56 LEU H H 56 8.770 8.770 8.498 0.272 18433 4746 1 11 . 1 1 57 57 GLN N N 57 119.917 119.917 117.482 2.435 18433 4747 1 11 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.007 0.059 18433 4748 1 11 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.884 1.487 18433 4749 1 11 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.459 -0.519 18433 4750 1 11 . 1 1 57 57 GLN H H 57 7.734 7.734 7.847 -0.113 18433 4751 1 11 . 1 1 58 58 VAL N N 58 122.347 122.347 116.451 5.896 18433 4752 1 11 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.974 -0.359 18433 4753 1 11 . 1 1 58 58 VAL CA C 58 67.230 67.230 65.937 1.293 18433 4754 1 11 . 1 1 58 58 VAL CB C 58 31.272 31.272 30.993 0.279 18433 4755 1 11 . 1 1 58 58 VAL H H 58 7.727 7.727 8.188 -0.461 18433 4756 1 11 . 1 1 59 59 VAL N N 59 121.131 121.131 122.587 -1.456 18433 4757 1 11 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.721 -0.315 18433 4758 1 11 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.770 1.278 18433 4759 1 11 . 1 1 59 59 VAL CB C 59 31.542 31.542 30.873 0.669 18433 4760 1 11 . 1 1 59 59 VAL H H 59 8.341 8.341 7.181 1.160 18433 4761 1 11 . 1 1 60 60 ARG N N 60 120.942 120.942 117.894 3.048 18433 4762 1 11 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.157 -0.042 18433 4763 1 11 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.488 -0.075 18433 4764 1 11 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.465 0.276 18433 4765 1 11 . 1 1 60 60 ARG H H 60 8.457 8.457 7.822 0.635 18433 4766 1 11 . 1 1 61 61 TYR N N 61 120.718 120.718 122.364 -1.646 18433 4767 1 11 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.311 0.255 18433 4768 1 11 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.286 -0.532 18433 4769 1 11 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.351 0.002 18433 4770 1 11 . 1 1 61 61 TYR H H 61 7.833 7.833 7.475 0.358 18433 4771 1 11 . 1 1 62 62 CYS N N 62 114.924 114.924 117.552 -2.628 18433 4772 1 11 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.726 -0.053 18433 4773 1 11 . 1 1 62 62 CYS CA C 62 64.281 64.281 64.595 -0.314 18433 4774 1 11 . 1 1 62 62 CYS CB C 62 27.717 27.717 28.289 -0.572 18433 4775 1 11 . 1 1 62 62 CYS H H 62 8.079 8.079 8.369 -0.290 18433 4776 1 11 . 1 1 63 63 THR N N 63 114.103 114.103 113.704 0.399 18433 4777 1 11 . 1 1 63 63 THR HA H 63 3.852 3.852 4.010 -0.158 18433 4778 1 11 . 1 1 63 63 THR CA C 63 66.871 66.871 65.985 0.886 18433 4779 1 11 . 1 1 63 63 THR CB C 63 67.762 67.762 68.277 -0.515 18433 4780 1 11 . 1 1 63 63 THR H H 63 8.721 8.721 8.567 0.154 18433 4781 1 11 . 1 1 64 64 ASP N N 64 126.664 126.664 120.471 6.193 18433 4782 1 11 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.550 -0.129 18433 4783 1 11 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.815 0.969 18433 4784 1 11 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.340 -1.099 18433 4785 1 11 . 1 1 64 64 ASP H H 64 8.771 8.771 7.410 1.361 18433 4786 1 11 . 1 1 65 65 LEU N N 65 119.722 119.722 120.941 -1.219 18433 4787 1 11 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.978 -0.106 18433 4788 1 11 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.922 0.329 18433 4789 1 11 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.498 -0.008 18433 4790 1 11 . 1 1 65 65 LEU H H 65 7.850 7.850 7.456 0.394 18433 4791 1 11 . 1 1 66 66 ILE N N 66 119.189 119.189 118.782 0.407 18433 4792 1 11 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.909 -0.511 18433 4793 1 11 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.503 0.695 18433 4794 1 11 . 1 1 66 66 ILE CB C 66 37.730 37.730 37.993 -0.263 18433 4795 1 11 . 1 1 66 66 ILE H H 66 7.636 7.636 7.479 0.157 18433 4796 1 11 . 1 1 67 67 GLU N N 67 123.166 123.166 117.785 5.381 18433 4797 1 11 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.082 -0.087 18433 4798 1 11 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.518 1.077 18433 4799 1 11 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.077 0.106 18433 4800 1 11 . 1 1 67 67 GLU H H 67 8.512 8.512 7.621 0.891 18433 4801 1 11 . 1 1 68 68 GLU N N 68 116.524 116.524 117.462 -0.938 18433 4802 1 11 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.269 0.026 18433 4803 1 11 . 1 1 68 68 GLU CA C 68 55.778 55.778 55.922 -0.144 18433 4804 1 11 . 1 1 68 68 GLU CB C 68 29.535 29.535 29.848 -0.313 18433 4805 1 11 . 1 1 68 68 GLU H H 68 7.633 7.633 8.140 -0.507 18433 4806 1 11 . 1 1 69 69 LYS N N 69 116.625 116.625 115.227 1.398 18433 4807 1 11 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.112 -0.467 18433 4808 1 11 . 1 1 69 69 LYS CA C 69 57.369 57.369 57.178 0.191 18433 4809 1 11 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.484 0.316 18433 4810 1 11 . 1 1 69 69 LYS H H 69 8.066 8.066 7.905 0.161 18433 4811 1 11 . 1 1 70 70 ASP N N 70 122.727 122.727 118.750 3.977 18433 4812 1 11 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.876 0.164 18433 4813 1 11 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.176 -1.780 18433 4814 1 11 . 1 1 70 70 ASP CB C 70 38.761 38.761 41.257 -2.496 18433 4815 1 11 . 1 1 70 70 ASP H H 70 8.483 8.483 8.525 -0.042 18433 4816 1 11 . 1 1 71 71 LEU N N 71 119.712 119.712 120.428 -0.716 18433 4817 1 11 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.794 0.087 18433 4818 1 11 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.509 -0.997 18433 4819 1 11 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.037 -0.790 18433 4820 1 11 . 1 1 71 71 LEU H H 71 7.515 7.515 8.213 -0.698 18433 4821 1 11 . 1 1 72 72 GLU N N 72 121.320 121.320 119.837 1.483 18433 4822 1 11 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.862 0.186 18433 4823 1 11 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.413 0.093 18433 4824 1 11 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.255 0.064 18433 4825 1 11 . 1 1 72 72 GLU H H 72 8.561 8.561 8.577 -0.016 18433 4826 1 11 . 1 1 73 73 LYS N N 73 119.338 119.338 118.023 1.315 18433 4827 1 11 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.911 -0.174 18433 4828 1 11 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.287 1.221 18433 4829 1 11 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.291 0.078 18433 4830 1 11 . 1 1 73 73 LYS H H 73 7.448 7.448 7.633 -0.185 18433 4831 1 11 . 1 1 74 74 LEU N N 74 117.830 117.830 123.847 -6.017 18433 4832 1 11 . 1 1 74 74 LEU HA H 74 3.880 3.880 3.964 -0.084 18433 4833 1 11 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.619 -0.677 18433 4834 1 11 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.738 -0.242 18433 4835 1 11 . 1 1 74 74 LEU H H 74 7.516 7.516 7.408 0.108 18433 4836 1 11 . 1 1 75 75 ASP N N 75 117.736 117.736 118.673 -0.937 18433 4837 1 11 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.400 -0.158 18433 4838 1 11 . 1 1 75 75 ASP CA C 75 57.852 57.852 57.552 0.300 18433 4839 1 11 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.701 1.622 18433 4840 1 11 . 1 1 75 75 ASP H H 75 7.828 7.828 7.861 -0.032 18433 4841 1 11 . 1 1 76 76 LEU N N 76 116.254 116.254 119.861 -3.607 18433 4842 1 11 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.192 -0.282 18433 4843 1 11 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.752 0.205 18433 4844 1 11 . 1 1 76 76 LEU CB C 76 41.827 41.827 42.068 -0.241 18433 4845 1 11 . 1 1 76 76 LEU H H 76 7.454 7.454 7.308 0.146 18433 4846 1 11 . 1 1 77 77 VAL N N 77 120.653 120.653 119.178 1.475 18433 4847 1 11 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.936 0.028 18433 4848 1 11 . 1 1 77 77 VAL CA C 77 66.879 66.879 66.016 0.863 18433 4849 1 11 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.071 0.948 18433 4850 1 11 . 1 1 77 77 VAL H H 77 8.626 8.626 8.518 0.108 18433 4851 1 11 . 1 1 78 78 ILE N N 78 122.189 122.189 120.764 1.425 18433 4852 1 11 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.978 0.008 18433 4853 1 11 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.820 -0.980 18433 4854 1 11 . 1 1 78 78 ILE CB C 78 35.672 35.672 37.009 -1.337 18433 4855 1 11 . 1 1 78 78 ILE H H 78 8.755 8.755 9.049 -0.294 18433 4856 1 11 . 1 1 79 79 LYS N N 79 119.030 119.030 120.146 -1.116 18433 4857 1 11 . 1 1 79 79 LYS HA H 79 3.881 3.881 3.978 -0.097 18433 4858 1 11 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.991 1.447 18433 4859 1 11 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.542 1.080 18433 4860 1 11 . 1 1 79 79 LYS H H 79 8.413 8.413 7.899 0.514 18433 4861 1 11 . 1 1 80 80 TYR N N 80 121.226 121.226 121.577 -0.351 18433 4862 1 11 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.169 0.139 18433 4863 1 11 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.599 0.405 18433 4864 1 11 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.067 -0.056 18433 4865 1 11 . 1 1 80 80 TYR H H 80 8.205 8.205 7.880 0.325 18433 4866 1 11 . 1 1 81 81 MET N N 81 116.428 116.428 116.785 -0.357 18433 4867 1 11 . 1 1 81 81 MET HA H 81 3.711 3.711 4.071 -0.360 18433 4868 1 11 . 1 1 81 81 MET CA C 81 60.733 60.733 59.120 1.613 18433 4869 1 11 . 1 1 81 81 MET CB C 81 33.894 33.894 32.568 1.326 18433 4870 1 11 . 1 1 81 81 MET H H 81 8.578 8.578 8.624 -0.046 18433 4871 1 11 . 1 1 82 82 LYS N N 82 119.778 119.778 120.777 -0.999 18433 4872 1 11 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.457 -0.764 18433 4873 1 11 . 1 1 82 82 LYS CA C 82 59.983 59.983 60.035 -0.052 18433 4874 1 11 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.995 0.796 18433 4875 1 11 . 1 1 82 82 LYS H H 82 8.594 8.594 8.245 0.349 18433 4876 1 11 . 1 1 83 83 ARG N N 83 116.474 116.474 118.267 -1.793 18433 4877 1 11 . 1 1 83 83 ARG HA H 83 3.854 3.854 3.951 -0.097 18433 4878 1 11 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.868 -0.387 18433 4879 1 11 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.333 0.269 18433 4880 1 11 . 1 1 83 83 ARG H H 83 7.145 7.145 7.596 -0.451 18433 4881 1 11 . 1 1 84 84 LEU N N 84 116.576 116.576 120.790 -4.214 18433 4882 1 11 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.921 -0.093 18433 4883 1 11 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.110 -0.176 18433 4884 1 11 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.884 1.155 18433 4885 1 11 . 1 1 84 84 LEU H H 84 7.284 7.284 7.067 0.217 18433 4886 1 11 . 1 1 85 85 MET N N 85 115.841 115.841 115.748 0.093 18433 4887 1 11 . 1 1 85 85 MET HA H 85 3.756 3.756 3.690 0.066 18433 4888 1 11 . 1 1 85 85 MET CA C 85 59.260 59.260 58.468 0.792 18433 4889 1 11 . 1 1 85 85 MET CB C 85 32.487 32.487 32.546 -0.059 18433 4890 1 11 . 1 1 85 85 MET H H 85 8.683 8.683 8.099 0.584 18433 4891 1 11 . 1 1 86 86 GLN N N 86 114.640 114.640 114.600 0.040 18433 4892 1 11 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.157 0.204 18433 4893 1 11 . 1 1 86 86 GLN CA C 86 56.857 56.857 58.061 -1.204 18433 4894 1 11 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.095 -1.465 18433 4895 1 11 . 1 1 86 86 GLN H H 86 7.513 7.513 8.224 -0.711 18433 4896 1 11 . 1 1 87 87 GLN N N 87 117.352 117.352 116.776 0.576 18433 4897 1 11 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.141 0.081 18433 4898 1 11 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.468 -0.134 18433 4899 1 11 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.886 0.253 18433 4900 1 11 . 1 1 87 87 GLN H H 87 7.277 7.277 7.606 -0.329 18433 4901 1 11 . 1 1 88 88 SER N N 88 113.778 113.778 115.519 -1.741 18433 4902 1 11 . 1 1 88 88 SER HA H 88 4.431 4.431 4.209 0.222 18433 4903 1 11 . 1 1 88 88 SER CA C 88 58.372 58.372 58.703 -0.331 18433 4904 1 11 . 1 1 88 88 SER CB C 88 63.525 63.525 64.020 -0.495 18433 4905 1 11 . 1 1 88 88 SER H H 88 7.482 7.482 7.417 0.065 18433 4906 1 11 . 1 1 89 89 VAL N N 89 120.934 120.934 115.213 5.721 18433 4907 1 11 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.070 0.093 18433 4908 1 11 . 1 1 89 89 VAL CA C 89 62.661 62.661 63.508 -0.847 18433 4909 1 11 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.214 -0.242 18433 4910 1 11 . 1 1 89 89 VAL H H 89 8.188 8.188 8.420 -0.232 18433 4911 1 11 . 1 1 90 90 GLU N N 90 120.714 120.714 119.353 1.361 18433 4912 1 11 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.523 -0.082 18433 4913 1 11 . 1 1 90 90 GLU CA C 90 55.945 55.945 55.369 0.576 18433 4914 1 11 . 1 1 90 90 GLU CB C 90 29.607 29.607 30.465 -0.858 18433 4915 1 11 . 1 1 90 90 GLU H H 90 8.411 8.411 7.844 0.567 18433 4916 1 11 . 1 1 91 91 SER HA H 91 4.451 4.451 4.292 0.159 18433 4917 1 11 . 1 1 91 91 SER CA C 91 59.681 59.681 60.783 -1.102 18433 4918 1 11 . 1 1 91 91 SER CB C 91 63.893 63.893 63.274 0.619 18433 4919 1 11 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.735 0.277 18433 4920 1 11 . 1 1 92 92 VAL CA C 92 64.738 64.738 65.162 -0.424 18433 4921 1 11 . 1 1 92 92 VAL CB C 92 31.013 31.013 31.752 -0.739 18433 4922 1 11 . 1 1 93 93 TRP N N 93 121.614 121.614 118.645 2.969 18433 4923 1 11 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.358 0.141 18433 4924 1 11 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.881 -1.205 18433 4925 1 11 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.241 0.616 18433 4926 1 11 . 1 1 93 93 TRP H H 93 7.551 7.551 7.511 0.040 18433 4927 1 11 . 1 1 94 94 ASN N N 94 119.013 119.013 117.814 1.199 18433 4928 1 11 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.478 -0.083 18433 4929 1 11 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.884 0.354 18433 4930 1 11 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.570 0.177 18433 4931 1 11 . 1 1 94 94 ASN H H 94 7.794 7.794 8.070 -0.276 18433 4932 1 11 . 1 1 95 95 MET N N 95 117.158 117.158 118.386 -1.228 18433 4933 1 11 . 1 1 95 95 MET HA H 95 4.346 4.346 4.381 -0.035 18433 4934 1 11 . 1 1 95 95 MET CA C 95 58.445 58.445 58.980 -0.535 18433 4935 1 11 . 1 1 95 95 MET CB C 95 32.436 32.436 32.466 -0.030 18433 4936 1 11 . 1 1 95 95 MET H H 95 7.751 7.751 7.563 0.188 18433 4937 1 11 . 1 1 96 96 ALA N N 96 123.406 123.406 123.256 0.150 18433 4938 1 11 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.043 0.164 18433 4939 1 11 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.348 0.097 18433 4940 1 11 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.226 -0.721 18433 4941 1 11 . 1 1 96 96 ALA H H 96 7.920 7.920 7.659 0.261 18433 4942 1 11 . 1 1 97 97 PHE N N 97 117.830 117.830 119.498 -1.668 18433 4943 1 11 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.259 -0.055 18433 4944 1 11 . 1 1 97 97 PHE CA C 97 62.853 62.853 61.370 1.483 18433 4945 1 11 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.022 -0.875 18433 4946 1 11 . 1 1 97 97 PHE H H 97 8.431 8.431 8.094 0.337 18433 4947 1 11 . 1 1 98 98 ASP N N 98 118.570 118.570 119.607 -1.037 18433 4948 1 11 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.067 0.181 18433 4949 1 11 . 1 1 98 98 ASP CA C 98 57.702 57.702 56.928 0.773 18433 4950 1 11 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.605 -0.205 18433 4951 1 11 . 1 1 98 98 ASP H H 98 7.805 7.805 7.818 -0.013 18433 4952 1 11 . 1 1 99 99 PHE N N 99 119.874 119.874 120.669 -0.795 18433 4953 1 11 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.080 0.214 18433 4954 1 11 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.644 -0.461 18433 4955 1 11 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.151 0.331 18433 4956 1 11 . 1 1 99 99 PHE H H 99 7.920 7.920 8.059 -0.139 18433 4957 1 11 . 1 1 100 100 ILE N N 100 122.589 122.589 119.188 3.401 18433 4958 1 11 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.589 -0.186 18433 4959 1 11 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.682 0.415 18433 4960 1 11 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.985 0.707 18433 4961 1 11 . 1 1 100 100 ILE H H 100 8.573 8.573 8.049 0.524 18433 4962 1 11 . 1 1 101 101 LEU N N 101 119.531 119.531 119.816 -0.285 18433 4963 1 11 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.758 -0.044 18433 4964 1 11 . 1 1 101 101 LEU CA C 101 57.998 57.998 57.929 0.069 18433 4965 1 11 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.040 -0.333 18433 4966 1 11 . 1 1 101 101 LEU H H 101 8.716 8.716 7.791 0.925 18433 4967 1 11 . 1 1 102 102 ASP N N 102 118.371 118.371 118.707 -0.336 18433 4968 1 11 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.345 -0.094 18433 4969 1 11 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.942 0.551 18433 4970 1 11 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.697 0.082 18433 4971 1 11 . 1 1 102 102 ASP H H 102 8.343 8.343 8.109 0.234 18433 4972 1 11 . 1 1 103 103 ASN N N 103 115.409 115.409 116.456 -1.047 18433 4973 1 11 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.637 -0.504 18433 4974 1 11 . 1 1 103 103 ASN CA C 103 57.079 57.079 54.966 2.113 18433 4975 1 11 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.374 -0.384 18433 4976 1 11 . 1 1 103 103 ASN H H 103 7.393 7.393 7.475 -0.082 18433 4977 1 11 . 1 1 104 104 VAL N N 104 119.972 119.972 122.167 -2.195 18433 4978 1 11 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.710 -0.293 18433 4979 1 11 . 1 1 104 104 VAL CA C 104 66.949 66.949 66.962 -0.013 18433 4980 1 11 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.874 -0.052 18433 4981 1 11 . 1 1 104 104 VAL H H 104 8.299 8.299 8.425 -0.126 18433 4982 1 11 . 1 1 105 105 GLN N N 105 118.449 118.449 118.198 0.251 18433 4983 1 11 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.964 0.430 18433 4984 1 11 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.852 0.168 18433 4985 1 11 . 1 1 105 105 GLN CB C 105 28.590 28.590 28.012 0.578 18433 4986 1 11 . 1 1 105 105 GLN H H 105 8.763 8.763 8.021 0.742 18433 4987 1 11 . 1 1 106 106 VAL N N 106 118.643 118.643 119.865 -1.222 18433 4988 1 11 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.749 -0.035 18433 4989 1 11 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.168 0.240 18433 4990 1 11 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.553 0.144 18433 4991 1 11 . 1 1 106 106 VAL H H 106 7.607 7.607 7.664 -0.057 18433 4992 1 11 . 1 1 107 107 VAL N N 107 120.205 120.205 119.445 0.760 18433 4993 1 11 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.710 0.019 18433 4994 1 11 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.595 0.778 18433 4995 1 11 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.862 -0.544 18433 4996 1 11 . 1 1 107 107 VAL H H 107 7.329 7.329 7.256 0.073 18433 4997 1 11 . 1 1 108 108 LEU N N 108 123.706 123.706 118.812 4.894 18433 4998 1 11 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.276 -0.253 18433 4999 1 11 . 1 1 108 108 LEU CA C 108 58.902 58.902 57.919 0.983 18433 5000 1 11 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.682 0.293 18433 5001 1 11 . 1 1 108 108 LEU H H 108 8.742 8.742 8.274 0.468 18433 5002 1 11 . 1 1 109 109 GLN N N 109 119.622 119.622 118.995 0.627 18433 5003 1 11 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.125 -0.144 18433 5004 1 11 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.825 0.241 18433 5005 1 11 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.740 -0.473 18433 5006 1 11 . 1 1 109 109 GLN H H 109 8.456 8.456 7.922 0.534 18433 5007 1 11 . 1 1 110 110 GLN N N 110 117.492 117.492 117.029 0.463 18433 5008 1 11 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.078 -0.004 18433 5009 1 11 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.186 -0.110 18433 5010 1 11 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.595 0.097 18433 5011 1 11 . 1 1 110 110 GLN H H 110 8.060 8.060 7.818 0.242 18433 5012 1 11 . 1 1 111 111 THR N N 111 112.944 112.944 114.447 -1.503 18433 5013 1 11 . 1 1 111 111 THR HA H 111 4.017 4.017 4.102 -0.085 18433 5014 1 11 . 1 1 111 111 THR CA C 111 65.020 65.020 64.289 0.731 18433 5015 1 11 . 1 1 111 111 THR CB C 111 69.543 69.543 69.698 -0.155 18433 5016 1 11 . 1 1 111 111 THR H H 111 7.934 7.934 7.492 0.442 18433 5017 1 11 . 1 1 112 112 TYR N N 112 118.273 118.273 117.638 0.635 18433 5018 1 11 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.492 0.205 18433 5019 1 11 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.352 0.068 18433 5020 1 11 . 1 1 112 112 TYR CB C 112 40.341 40.341 40.374 -0.033 18433 5021 1 11 . 1 1 112 112 TYR H H 112 8.404 8.404 8.102 0.302 18433 5022 1 11 . 1 1 113 113 GLY N N 113 109.593 109.593 105.219 4.374 18433 5023 1 11 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.201 0.808 18433 5024 1 11 . 1 1 113 113 GLY H H 113 7.990 7.990 7.896 0.094 18433 5025 1 11 . 1 1 114 114 SER N N 114 113.965 113.965 115.847 -1.882 18433 5026 1 11 . 1 1 114 114 SER HA H 114 4.630 4.630 4.679 -0.049 18433 5027 1 11 . 1 1 114 114 SER CA C 114 57.356 57.356 57.756 -0.400 18433 5028 1 11 . 1 1 114 114 SER CB C 114 64.543 64.543 64.498 0.045 18433 5029 1 11 . 1 1 114 114 SER H H 114 7.636 7.636 7.986 -0.350 18433 5030 1 11 . 1 1 115 115 THR N N 115 110.456 110.456 109.542 0.914 18433 5031 1 11 . 1 1 115 115 THR HA H 115 4.406 4.406 4.616 -0.210 18433 5032 1 11 . 1 1 115 115 THR CA C 115 61.125 61.125 60.494 0.631 18433 5033 1 11 . 1 1 115 115 THR CB C 115 70.288 70.288 70.971 -0.683 18433 5034 1 11 . 1 1 115 115 THR H H 115 7.828 7.828 7.855 -0.027 18433 5035 1 11 . 1 1 116 116 LEU N N 116 123.832 123.832 121.859 1.973 18433 5036 1 11 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.520 -0.214 18433 5037 1 11 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.504 0.379 18433 5038 1 11 . 1 1 116 116 LEU CB C 116 42.795 42.795 44.046 -1.251 18433 5039 1 11 . 1 1 116 116 LEU H H 116 8.741 8.741 8.390 0.351 18433 5040 1 11 . 1 1 117 117 LYS N N 117 124.713 124.713 124.279 0.434 18433 5041 1 11 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.372 0.041 18433 5042 1 11 . 1 1 117 117 LYS CA C 117 55.551 55.551 56.033 -0.482 18433 5043 1 11 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.033 1.518 18433 5044 1 11 . 1 1 117 117 LYS H H 117 8.479 8.479 8.574 -0.095 18433 5045 1 11 . 1 1 118 118 VAL N N 118 122.419 122.419 123.648 -1.229 18433 5046 1 11 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.700 -0.458 18433 5047 1 11 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.427 0.528 18433 5048 1 11 . 1 1 118 118 VAL CB C 118 32.837 32.837 32.304 0.533 18433 5049 1 11 . 1 1 118 118 VAL H H 118 8.268 8.268 8.259 0.009 18433 5050 1 12 . 1 1 24 24 ALA N N 24 123.308 123.308 124.008 -0.700 18433 5051 1 12 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.754 -0.210 18433 5052 1 12 . 1 1 24 24 ALA CA C 24 50.311 50.311 50.208 0.103 18433 5053 1 12 . 1 1 24 24 ALA CB C 24 18.597 18.597 20.029 -1.432 18433 5054 1 12 . 1 1 24 24 ALA H H 24 7.820 7.820 7.761 0.059 18433 5055 1 12 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.397 0.241 18433 5056 1 12 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.923 0.328 18433 5057 1 12 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.419 1.443 18433 5058 1 12 . 1 1 26 26 ASN N N 26 120.016 120.016 120.033 -0.017 18433 5059 1 12 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.526 -0.299 18433 5060 1 12 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.055 0.568 18433 5061 1 12 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.329 1.810 18433 5062 1 12 . 1 1 26 26 ASN H H 26 9.079 9.079 8.056 1.023 18433 5063 1 12 . 1 1 27 27 LEU N N 27 123.375 123.375 123.345 0.030 18433 5064 1 12 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.473 -0.236 18433 5065 1 12 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.060 -0.757 18433 5066 1 12 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.605 0.212 18433 5067 1 12 . 1 1 27 27 LEU H H 27 8.098 8.098 8.499 -0.402 18433 5068 1 12 . 1 1 28 28 ALA N N 28 126.889 126.889 129.614 -2.725 18433 5069 1 12 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.960 -0.286 18433 5070 1 12 . 1 1 28 28 ALA CA C 28 52.381 52.381 52.625 -0.244 18433 5071 1 12 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.059 1.870 18433 5072 1 12 . 1 1 28 28 ALA H H 28 9.215 9.215 9.000 0.215 18433 5073 1 12 . 1 1 29 29 GLY N N 29 102.532 102.532 101.662 0.870 18433 5074 1 12 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.718 0.120 18433 5075 1 12 . 1 1 29 29 GLY H H 29 7.943 7.943 8.320 -0.377 18433 5076 1 12 . 1 1 30 30 ALA N N 30 125.002 125.002 122.108 2.894 18433 5077 1 12 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.693 -0.442 18433 5078 1 12 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.565 1.583 18433 5079 1 12 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.464 -1.030 18433 5080 1 12 . 1 1 30 30 ALA H H 30 8.040 8.040 7.632 0.408 18433 5081 1 12 . 1 1 31 31 VAL N N 31 119.492 119.492 124.542 -5.050 18433 5082 1 12 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.145 0.123 18433 5083 1 12 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.717 -1.320 18433 5084 1 12 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.457 2.501 18433 5085 1 12 . 1 1 31 31 VAL H H 31 8.415 8.415 8.622 -0.207 18433 5086 1 12 . 1 1 32 32 GLU N N 32 122.142 122.142 119.049 3.093 18433 5087 1 12 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.286 -0.012 18433 5088 1 12 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.647 -0.451 18433 5089 1 12 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.627 -1.288 18433 5090 1 12 . 1 1 32 32 GLU H H 32 8.757 8.757 7.941 0.816 18433 5091 1 12 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.237 0.018 18433 5092 1 12 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.973 -0.637 18433 5093 1 12 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.395 -0.751 18433 5094 1 12 . 1 1 34 34 SER N N 34 112.028 112.028 114.373 -2.345 18433 5095 1 12 . 1 1 34 34 SER HA H 34 3.652 3.652 3.772 -0.120 18433 5096 1 12 . 1 1 34 34 SER CA C 34 61.642 61.642 61.754 -0.112 18433 5097 1 12 . 1 1 34 34 SER CB C 34 61.807 61.807 61.978 -0.171 18433 5098 1 12 . 1 1 34 34 SER H H 34 8.902 8.902 8.537 0.365 18433 5099 1 12 . 1 1 35 35 ASP N N 35 121.321 121.321 119.128 2.193 18433 5100 1 12 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.408 0.090 18433 5101 1 12 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.803 -0.243 18433 5102 1 12 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.001 1.226 18433 5103 1 12 . 1 1 35 35 ASP H H 35 6.930 6.930 8.386 -1.456 18433 5104 1 12 . 1 1 36 36 VAL N N 36 123.532 123.532 119.625 3.907 18433 5105 1 12 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.548 -0.300 18433 5106 1 12 . 1 1 36 36 VAL CA C 36 67.358 67.358 65.392 1.966 18433 5107 1 12 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.312 0.780 18433 5108 1 12 . 1 1 36 36 VAL H H 36 8.014 8.014 7.562 0.452 18433 5109 1 12 . 1 1 37 37 LYS N N 37 118.036 118.036 117.931 0.105 18433 5110 1 12 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.597 -0.130 18433 5111 1 12 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.281 0.968 18433 5112 1 12 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.501 0.808 18433 5113 1 12 . 1 1 37 37 LYS H H 37 8.384 8.384 7.825 0.559 18433 5114 1 12 . 1 1 38 38 THR N N 38 115.765 115.765 116.513 -0.748 18433 5115 1 12 . 1 1 38 38 THR HA H 38 3.872 3.872 4.069 -0.197 18433 5116 1 12 . 1 1 38 38 THR CA C 38 66.652 66.652 66.595 0.057 18433 5117 1 12 . 1 1 38 38 THR CB C 38 68.664 68.664 68.582 0.082 18433 5118 1 12 . 1 1 38 38 THR H H 38 7.344 7.344 7.393 -0.049 18433 5119 1 12 . 1 1 39 39 LEU N N 39 123.362 123.362 121.250 2.112 18433 5120 1 12 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.341 0.006 18433 5121 1 12 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.509 0.748 18433 5122 1 12 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.688 1.618 18433 5123 1 12 . 1 1 39 39 LEU H H 39 7.701 7.701 7.396 0.305 18433 5124 1 12 . 1 1 40 40 LEU N N 40 118.128 118.128 120.063 -1.935 18433 5125 1 12 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.150 0.225 18433 5126 1 12 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.244 0.067 18433 5127 1 12 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.452 1.336 18433 5128 1 12 . 1 1 40 40 LEU H H 40 8.434 8.434 7.872 0.562 18433 5129 1 12 . 1 1 41 41 LYS N N 41 117.838 117.838 119.250 -1.412 18433 5130 1 12 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.858 0.004 18433 5131 1 12 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.905 -0.009 18433 5132 1 12 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.637 -0.941 18433 5133 1 12 . 1 1 41 41 LYS H H 41 8.571 8.571 8.494 0.077 18433 5134 1 12 . 1 1 42 42 GLU N N 42 122.248 122.248 117.096 5.152 18433 5135 1 12 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.220 -0.329 18433 5136 1 12 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.221 1.725 18433 5137 1 12 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.390 0.213 18433 5138 1 12 . 1 1 42 42 GLU H H 42 8.276 8.276 7.759 0.517 18433 5139 1 12 . 1 1 43 43 TRP N N 43 123.115 123.115 121.903 1.212 18433 5140 1 12 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.458 -1.433 18433 5141 1 12 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.620 -1.815 18433 5142 1 12 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.425 -0.773 18433 5143 1 12 . 1 1 43 43 TRP H H 43 8.318 8.318 8.000 0.318 18433 5144 1 12 . 1 1 44 44 ILE N N 44 112.941 112.941 113.889 -0.948 18433 5145 1 12 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.467 -0.928 18433 5146 1 12 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.041 1.400 18433 5147 1 12 . 1 1 44 44 ILE CB C 44 38.393 38.393 37.908 0.485 18433 5148 1 12 . 1 1 44 44 ILE H H 44 7.567 7.567 7.473 0.094 18433 5149 1 12 . 1 1 45 45 THR N N 45 106.451 106.451 113.416 -6.965 18433 5150 1 12 . 1 1 45 45 THR HA H 45 4.080 4.080 4.284 -0.204 18433 5151 1 12 . 1 1 45 45 THR CA C 45 63.681 63.681 63.841 -0.160 18433 5152 1 12 . 1 1 45 45 THR CB C 45 70.147 70.147 69.216 0.931 18433 5153 1 12 . 1 1 45 45 THR H H 45 7.653 7.653 7.637 0.016 18433 5154 1 12 . 1 1 46 46 THR N N 46 110.600 110.600 116.511 -5.911 18433 5155 1 12 . 1 1 46 46 THR HA H 46 4.557 4.557 4.255 0.302 18433 5156 1 12 . 1 1 46 46 THR CA C 46 62.972 62.972 64.589 -1.617 18433 5157 1 12 . 1 1 46 46 THR CB C 46 71.039 71.039 69.276 1.763 18433 5158 1 12 . 1 1 46 46 THR H H 46 7.502 7.502 8.241 -0.739 18433 5159 1 12 . 1 1 47 47 ILE N N 47 124.370 124.370 120.766 3.604 18433 5160 1 12 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.354 0.119 18433 5161 1 12 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.331 -1.728 18433 5162 1 12 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.358 -3.857 18433 5163 1 12 . 1 1 47 47 ILE H H 47 7.533 7.533 7.331 0.202 18433 5164 1 12 . 1 1 48 48 SER N N 48 119.846 119.846 121.957 -2.111 18433 5165 1 12 . 1 1 48 48 SER HA H 48 4.498 4.498 4.651 -0.153 18433 5166 1 12 . 1 1 48 48 SER CA C 48 59.280 59.280 58.942 0.338 18433 5167 1 12 . 1 1 48 48 SER CB C 48 63.813 63.813 64.133 -0.320 18433 5168 1 12 . 1 1 48 48 SER H H 48 8.423 8.423 8.709 -0.286 18433 5169 1 12 . 1 1 49 49 ASP N N 49 119.475 119.475 121.788 -2.313 18433 5170 1 12 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.687 0.112 18433 5171 1 12 . 1 1 49 49 ASP CA C 49 50.804 50.804 50.669 0.135 18433 5172 1 12 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.465 0.015 18433 5173 1 12 . 1 1 49 49 ASP H H 49 7.298 7.298 7.960 -0.662 18433 5174 1 12 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.489 -0.321 18433 5175 1 12 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.696 -0.784 18433 5176 1 12 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.477 -0.730 18433 5177 1 12 . 1 1 51 51 MET N N 51 121.983 121.983 122.756 -0.773 18433 5178 1 12 . 1 1 51 51 MET HA H 51 4.492 4.492 4.470 0.022 18433 5179 1 12 . 1 1 51 51 MET CA C 51 55.165 55.165 54.918 0.247 18433 5180 1 12 . 1 1 51 51 MET CB C 51 33.974 33.974 34.109 -0.135 18433 5181 1 12 . 1 1 51 51 MET H H 51 9.258 9.258 8.129 1.129 18433 5182 1 12 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.681 0.151 18433 5183 1 12 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.424 0.075 18433 5184 1 12 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.349 0.374 18433 5185 1 12 . 1 1 53 53 GLU N N 53 116.755 116.755 118.844 -2.089 18433 5186 1 12 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.160 -0.095 18433 5187 1 12 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.793 0.378 18433 5188 1 12 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.998 0.646 18433 5189 1 12 . 1 1 53 53 GLU H H 53 9.834 9.834 8.590 1.244 18433 5190 1 12 . 1 1 54 54 ASP N N 54 117.972 117.972 118.471 -0.499 18433 5191 1 12 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.340 0.658 18433 5192 1 12 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.517 0.544 18433 5193 1 12 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.688 1.578 18433 5194 1 12 . 1 1 54 54 ASP H H 54 7.348 7.348 8.351 -1.003 18433 5195 1 12 . 1 1 55 55 ILE N N 55 122.004 122.004 119.916 2.088 18433 5196 1 12 . 1 1 55 55 ILE HA H 55 3.935 3.935 4.011 -0.076 18433 5197 1 12 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.667 1.864 18433 5198 1 12 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.011 0.128 18433 5199 1 12 . 1 1 55 55 ILE H H 55 8.081 8.081 8.215 -0.134 18433 5200 1 12 . 1 1 56 56 LEU N N 56 117.547 117.547 120.603 -3.056 18433 5201 1 12 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.149 0.001 18433 5202 1 12 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.099 -0.164 18433 5203 1 12 . 1 1 56 56 LEU CB C 56 40.977 40.977 41.613 -0.636 18433 5204 1 12 . 1 1 56 56 LEU H H 56 8.770 8.770 7.709 1.061 18433 5205 1 12 . 1 1 57 57 GLN N N 57 119.917 119.917 117.410 2.507 18433 5206 1 12 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.039 0.027 18433 5207 1 12 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.911 1.460 18433 5208 1 12 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.144 -0.204 18433 5209 1 12 . 1 1 57 57 GLN H H 57 7.734 7.734 7.769 -0.035 18433 5210 1 12 . 1 1 58 58 VAL N N 58 122.347 122.347 118.318 4.029 18433 5211 1 12 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.838 -0.223 18433 5212 1 12 . 1 1 58 58 VAL CA C 58 67.230 67.230 65.025 2.205 18433 5213 1 12 . 1 1 58 58 VAL CB C 58 31.272 31.272 30.822 0.450 18433 5214 1 12 . 1 1 58 58 VAL H H 58 7.727 7.727 7.501 0.226 18433 5215 1 12 . 1 1 59 59 VAL N N 59 121.131 121.131 121.388 -0.257 18433 5216 1 12 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.725 -0.319 18433 5217 1 12 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.481 1.567 18433 5218 1 12 . 1 1 59 59 VAL CB C 59 31.542 31.542 30.919 0.623 18433 5219 1 12 . 1 1 59 59 VAL H H 59 8.341 8.341 7.753 0.588 18433 5220 1 12 . 1 1 60 60 ARG N N 60 120.942 120.942 118.050 2.892 18433 5221 1 12 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.153 -0.038 18433 5222 1 12 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.367 0.046 18433 5223 1 12 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.528 0.213 18433 5224 1 12 . 1 1 60 60 ARG H H 60 8.457 8.457 7.952 0.505 18433 5225 1 12 . 1 1 61 61 TYR N N 61 120.718 120.718 121.442 -0.724 18433 5226 1 12 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.319 0.247 18433 5227 1 12 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.626 -0.872 18433 5228 1 12 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.553 -0.200 18433 5229 1 12 . 1 1 61 61 TYR H H 61 7.833 7.833 7.487 0.346 18433 5230 1 12 . 1 1 62 62 CYS N N 62 114.924 114.924 117.543 -2.619 18433 5231 1 12 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.964 -0.291 18433 5232 1 12 . 1 1 62 62 CYS CA C 62 64.281 64.281 63.856 0.425 18433 5233 1 12 . 1 1 62 62 CYS CB C 62 27.717 27.717 28.299 -0.582 18433 5234 1 12 . 1 1 62 62 CYS H H 62 8.079 8.079 8.343 -0.264 18433 5235 1 12 . 1 1 63 63 THR N N 63 114.103 114.103 114.006 0.097 18433 5236 1 12 . 1 1 63 63 THR HA H 63 3.852 3.852 3.971 -0.119 18433 5237 1 12 . 1 1 63 63 THR CA C 63 66.871 66.871 66.273 0.598 18433 5238 1 12 . 1 1 63 63 THR CB C 63 67.762 67.762 68.136 -0.374 18433 5239 1 12 . 1 1 63 63 THR H H 63 8.721 8.721 8.589 0.132 18433 5240 1 12 . 1 1 64 64 ASP N N 64 126.664 126.664 121.858 4.806 18433 5241 1 12 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.520 -0.099 18433 5242 1 12 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.953 0.831 18433 5243 1 12 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.190 -0.948 18433 5244 1 12 . 1 1 64 64 ASP H H 64 8.771 8.771 7.454 1.317 18433 5245 1 12 . 1 1 65 65 LEU N N 65 119.722 119.722 121.030 -1.308 18433 5246 1 12 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.971 -0.099 18433 5247 1 12 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.928 0.323 18433 5248 1 12 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.512 -0.022 18433 5249 1 12 . 1 1 65 65 LEU H H 65 7.850 7.850 7.545 0.305 18433 5250 1 12 . 1 1 66 66 ILE N N 66 119.189 119.189 119.252 -0.063 18433 5251 1 12 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.868 -0.470 18433 5252 1 12 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.683 0.515 18433 5253 1 12 . 1 1 66 66 ILE CB C 66 37.730 37.730 38.077 -0.347 18433 5254 1 12 . 1 1 66 66 ILE H H 66 7.636 7.636 7.407 0.229 18433 5255 1 12 . 1 1 67 67 GLU N N 67 123.166 123.166 117.765 5.401 18433 5256 1 12 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.061 -0.066 18433 5257 1 12 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.730 0.865 18433 5258 1 12 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.215 -0.032 18433 5259 1 12 . 1 1 67 67 GLU H H 67 8.512 8.512 7.791 0.721 18433 5260 1 12 . 1 1 68 68 GLU N N 68 116.524 116.524 117.108 -0.584 18433 5261 1 12 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.295 -0.000 18433 5262 1 12 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.432 -0.654 18433 5263 1 12 . 1 1 68 68 GLU CB C 68 29.535 29.535 30.214 -0.679 18433 5264 1 12 . 1 1 68 68 GLU H H 68 7.633 7.633 8.141 -0.508 18433 5265 1 12 . 1 1 69 69 LYS N N 69 116.625 116.625 115.687 0.938 18433 5266 1 12 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.108 -0.463 18433 5267 1 12 . 1 1 69 69 LYS CA C 69 57.369 57.369 57.172 0.197 18433 5268 1 12 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.430 0.370 18433 5269 1 12 . 1 1 69 69 LYS H H 69 8.066 8.066 7.908 0.158 18433 5270 1 12 . 1 1 70 70 ASP N N 70 122.727 122.727 118.636 4.091 18433 5271 1 12 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.871 0.169 18433 5272 1 12 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.438 -2.042 18433 5273 1 12 . 1 1 70 70 ASP CB C 70 38.761 38.761 41.571 -2.810 18433 5274 1 12 . 1 1 70 70 ASP H H 70 8.483 8.483 8.526 -0.043 18433 5275 1 12 . 1 1 71 71 LEU N N 71 119.712 119.712 120.195 -0.483 18433 5276 1 12 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.837 0.044 18433 5277 1 12 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.233 -0.721 18433 5278 1 12 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.064 -0.817 18433 5279 1 12 . 1 1 71 71 LEU H H 71 7.515 7.515 8.264 -0.749 18433 5280 1 12 . 1 1 72 72 GLU N N 72 121.320 121.320 119.892 1.428 18433 5281 1 12 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.859 0.189 18433 5282 1 12 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.522 -0.016 18433 5283 1 12 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.274 0.045 18433 5284 1 12 . 1 1 72 72 GLU H H 72 8.561 8.561 8.567 -0.006 18433 5285 1 12 . 1 1 73 73 LYS N N 73 119.338 119.338 117.513 1.825 18433 5286 1 12 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.945 -0.208 18433 5287 1 12 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.179 1.329 18433 5288 1 12 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.192 0.177 18433 5289 1 12 . 1 1 73 73 LYS H H 73 7.448 7.448 7.520 -0.072 18433 5290 1 12 . 1 1 74 74 LEU N N 74 117.830 117.830 123.993 -6.163 18433 5291 1 12 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.017 -0.137 18433 5292 1 12 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.630 -0.688 18433 5293 1 12 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.892 -0.396 18433 5294 1 12 . 1 1 74 74 LEU H H 74 7.516 7.516 7.476 0.040 18433 5295 1 12 . 1 1 75 75 ASP N N 75 117.736 117.736 118.669 -0.933 18433 5296 1 12 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.390 -0.148 18433 5297 1 12 . 1 1 75 75 ASP CA C 75 57.852 57.852 57.867 -0.015 18433 5298 1 12 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.728 1.595 18433 5299 1 12 . 1 1 75 75 ASP H H 75 7.828 7.828 7.962 -0.134 18433 5300 1 12 . 1 1 76 76 LEU N N 76 116.254 116.254 120.075 -3.821 18433 5301 1 12 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.192 -0.282 18433 5302 1 12 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.630 0.327 18433 5303 1 12 . 1 1 76 76 LEU CB C 76 41.827 41.827 41.921 -0.094 18433 5304 1 12 . 1 1 76 76 LEU H H 76 7.454 7.454 7.328 0.126 18433 5305 1 12 . 1 1 77 77 VAL N N 77 120.653 120.653 118.992 1.661 18433 5306 1 12 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.868 0.096 18433 5307 1 12 . 1 1 77 77 VAL CA C 77 66.879 66.879 66.521 0.358 18433 5308 1 12 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.643 0.376 18433 5309 1 12 . 1 1 77 77 VAL H H 77 8.626 8.626 8.559 0.067 18433 5310 1 12 . 1 1 78 78 ILE N N 78 122.189 122.189 120.908 1.281 18433 5311 1 12 . 1 1 78 78 ILE HA H 78 3.986 3.986 4.036 -0.050 18433 5312 1 12 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.309 -0.469 18433 5313 1 12 . 1 1 78 78 ILE CB C 78 35.672 35.672 37.038 -1.366 18433 5314 1 12 . 1 1 78 78 ILE H H 78 8.755 8.755 8.973 -0.218 18433 5315 1 12 . 1 1 79 79 LYS N N 79 119.030 119.030 120.271 -1.241 18433 5316 1 12 . 1 1 79 79 LYS HA H 79 3.881 3.881 3.989 -0.108 18433 5317 1 12 . 1 1 79 79 LYS CA C 79 60.438 60.438 59.015 1.423 18433 5318 1 12 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.674 0.948 18433 5319 1 12 . 1 1 79 79 LYS H H 79 8.413 8.413 8.037 0.376 18433 5320 1 12 . 1 1 80 80 TYR N N 80 121.226 121.226 121.350 -0.124 18433 5321 1 12 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.266 0.042 18433 5322 1 12 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.305 0.699 18433 5323 1 12 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.403 -0.392 18433 5324 1 12 . 1 1 80 80 TYR H H 80 8.205 8.205 7.804 0.401 18433 5325 1 12 . 1 1 81 81 MET N N 81 116.428 116.428 117.646 -1.218 18433 5326 1 12 . 1 1 81 81 MET HA H 81 3.711 3.711 4.184 -0.473 18433 5327 1 12 . 1 1 81 81 MET CA C 81 60.733 60.733 58.920 1.813 18433 5328 1 12 . 1 1 81 81 MET CB C 81 33.894 33.894 32.960 0.934 18433 5329 1 12 . 1 1 81 81 MET H H 81 8.578 8.578 8.421 0.157 18433 5330 1 12 . 1 1 82 82 LYS N N 82 119.778 119.778 119.206 0.572 18433 5331 1 12 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.378 -0.685 18433 5332 1 12 . 1 1 82 82 LYS CA C 82 59.983 59.983 58.535 1.448 18433 5333 1 12 . 1 1 82 82 LYS CB C 82 32.791 32.791 30.965 1.826 18433 5334 1 12 . 1 1 82 82 LYS H H 82 8.594 8.594 8.390 0.204 18433 5335 1 12 . 1 1 83 83 ARG N N 83 116.474 116.474 119.373 -2.899 18433 5336 1 12 . 1 1 83 83 ARG HA H 83 3.854 3.854 4.050 -0.196 18433 5337 1 12 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.537 -0.056 18433 5338 1 12 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.652 -0.050 18433 5339 1 12 . 1 1 83 83 ARG H H 83 7.145 7.145 7.355 -0.210 18433 5340 1 12 . 1 1 84 84 LEU N N 84 116.576 116.576 120.801 -4.225 18433 5341 1 12 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.929 -0.101 18433 5342 1 12 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.084 -0.150 18433 5343 1 12 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.925 1.114 18433 5344 1 12 . 1 1 84 84 LEU H H 84 7.284 7.284 7.072 0.212 18433 5345 1 12 . 1 1 85 85 MET N N 85 115.841 115.841 115.491 0.350 18433 5346 1 12 . 1 1 85 85 MET HA H 85 3.756 3.756 3.690 0.066 18433 5347 1 12 . 1 1 85 85 MET CA C 85 59.260 59.260 58.284 0.976 18433 5348 1 12 . 1 1 85 85 MET CB C 85 32.487 32.487 32.460 0.027 18433 5349 1 12 . 1 1 85 85 MET H H 85 8.683 8.683 7.820 0.863 18433 5350 1 12 . 1 1 86 86 GLN N N 86 114.640 114.640 114.342 0.298 18433 5351 1 12 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.280 0.081 18433 5352 1 12 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.622 -0.765 18433 5353 1 12 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.500 -1.870 18433 5354 1 12 . 1 1 86 86 GLN H H 86 7.513 7.513 7.481 0.032 18433 5355 1 12 . 1 1 87 87 GLN N N 87 117.352 117.352 116.388 0.964 18433 5356 1 12 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.188 0.034 18433 5357 1 12 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.265 0.069 18433 5358 1 12 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.798 0.341 18433 5359 1 12 . 1 1 87 87 GLN H H 87 7.277 7.277 7.450 -0.173 18433 5360 1 12 . 1 1 88 88 SER N N 88 113.778 113.778 117.187 -3.409 18433 5361 1 12 . 1 1 88 88 SER HA H 88 4.431 4.431 4.256 0.175 18433 5362 1 12 . 1 1 88 88 SER CA C 88 58.372 58.372 59.680 -1.308 18433 5363 1 12 . 1 1 88 88 SER CB C 88 63.525 63.525 63.715 -0.190 18433 5364 1 12 . 1 1 88 88 SER H H 88 7.482 7.482 7.593 -0.111 18433 5365 1 12 . 1 1 89 89 VAL N N 89 120.934 120.934 120.727 0.207 18433 5366 1 12 . 1 1 89 89 VAL HA H 89 4.163 4.163 3.960 0.203 18433 5367 1 12 . 1 1 89 89 VAL CA C 89 62.661 62.661 64.110 -1.449 18433 5368 1 12 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.392 -0.421 18433 5369 1 12 . 1 1 89 89 VAL H H 89 8.188 8.188 8.628 -0.440 18433 5370 1 12 . 1 1 90 90 GLU N N 90 120.714 120.714 118.538 2.176 18433 5371 1 12 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.467 -0.026 18433 5372 1 12 . 1 1 90 90 GLU CA C 90 55.945 55.945 56.107 -0.162 18433 5373 1 12 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.766 -0.159 18433 5374 1 12 . 1 1 90 90 GLU H H 90 8.411 8.411 8.053 0.358 18433 5375 1 12 . 1 1 91 91 SER HA H 91 4.451 4.451 4.255 0.196 18433 5376 1 12 . 1 1 91 91 SER CA C 91 59.681 59.681 60.929 -1.248 18433 5377 1 12 . 1 1 91 91 SER CB C 91 63.893 63.893 62.923 0.970 18433 5378 1 12 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.729 0.283 18433 5379 1 12 . 1 1 92 92 VAL CA C 92 64.738 64.738 64.725 0.013 18433 5380 1 12 . 1 1 92 92 VAL CB C 92 31.013 31.013 31.153 -0.140 18433 5381 1 12 . 1 1 93 93 TRP N N 93 121.614 121.614 120.255 1.359 18433 5382 1 12 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.294 0.205 18433 5383 1 12 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.717 -1.041 18433 5384 1 12 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.387 0.469 18433 5385 1 12 . 1 1 93 93 TRP H H 93 7.551 7.551 7.413 0.138 18433 5386 1 12 . 1 1 94 94 ASN N N 94 119.013 119.013 116.738 2.275 18433 5387 1 12 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.496 -0.101 18433 5388 1 12 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.776 0.462 18433 5389 1 12 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.513 0.234 18433 5390 1 12 . 1 1 94 94 ASN H H 94 7.794 7.794 8.167 -0.373 18433 5391 1 12 . 1 1 95 95 MET N N 95 117.158 117.158 118.862 -1.704 18433 5392 1 12 . 1 1 95 95 MET HA H 95 4.346 4.346 4.368 -0.022 18433 5393 1 12 . 1 1 95 95 MET CA C 95 58.445 58.445 58.503 -0.058 18433 5394 1 12 . 1 1 95 95 MET CB C 95 32.436 32.436 32.543 -0.107 18433 5395 1 12 . 1 1 95 95 MET H H 95 7.751 7.751 7.612 0.139 18433 5396 1 12 . 1 1 96 96 ALA N N 96 123.406 123.406 123.550 -0.144 18433 5397 1 12 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.061 0.146 18433 5398 1 12 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.407 0.038 18433 5399 1 12 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.328 -0.823 18433 5400 1 12 . 1 1 96 96 ALA H H 96 7.920 7.920 7.821 0.099 18433 5401 1 12 . 1 1 97 97 PHE N N 97 117.830 117.830 118.965 -1.135 18433 5402 1 12 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.369 -0.165 18433 5403 1 12 . 1 1 97 97 PHE CA C 97 62.853 62.853 60.143 2.710 18433 5404 1 12 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.085 -0.938 18433 5405 1 12 . 1 1 97 97 PHE H H 97 8.431 8.431 8.077 0.354 18433 5406 1 12 . 1 1 98 98 ASP N N 98 118.570 118.570 119.950 -1.380 18433 5407 1 12 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.071 0.177 18433 5408 1 12 . 1 1 98 98 ASP CA C 98 57.702 57.702 56.823 0.879 18433 5409 1 12 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.701 -0.301 18433 5410 1 12 . 1 1 98 98 ASP H H 98 7.805 7.805 7.767 0.038 18433 5411 1 12 . 1 1 99 99 PHE N N 99 119.874 119.874 120.722 -0.848 18433 5412 1 12 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.164 0.130 18433 5413 1 12 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.604 -0.421 18433 5414 1 12 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.300 0.182 18433 5415 1 12 . 1 1 99 99 PHE H H 99 7.920 7.920 8.133 -0.213 18433 5416 1 12 . 1 1 100 100 ILE N N 100 122.589 122.589 119.209 3.380 18433 5417 1 12 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.523 -0.120 18433 5418 1 12 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.508 0.589 18433 5419 1 12 . 1 1 100 100 ILE CB C 100 38.692 38.692 38.028 0.664 18433 5420 1 12 . 1 1 100 100 ILE H H 100 8.573 8.573 7.714 0.859 18433 5421 1 12 . 1 1 101 101 LEU N N 101 119.531 119.531 120.620 -1.089 18433 5422 1 12 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.794 -0.080 18433 5423 1 12 . 1 1 101 101 LEU CA C 101 57.998 57.998 58.172 -0.174 18433 5424 1 12 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.234 -0.527 18433 5425 1 12 . 1 1 101 101 LEU H H 101 8.716 8.716 7.504 1.212 18433 5426 1 12 . 1 1 102 102 ASP N N 102 118.371 118.371 118.479 -0.108 18433 5427 1 12 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.335 -0.084 18433 5428 1 12 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.688 0.805 18433 5429 1 12 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.640 0.139 18433 5430 1 12 . 1 1 102 102 ASP H H 102 8.343 8.343 8.382 -0.039 18433 5431 1 12 . 1 1 103 103 ASN N N 103 115.409 115.409 116.352 -0.943 18433 5432 1 12 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.640 -0.507 18433 5433 1 12 . 1 1 103 103 ASN CA C 103 57.079 57.079 54.965 2.114 18433 5434 1 12 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.337 -0.347 18433 5435 1 12 . 1 1 103 103 ASN H H 103 7.393 7.393 7.273 0.120 18433 5436 1 12 . 1 1 104 104 VAL N N 104 119.972 119.972 122.480 -2.508 18433 5437 1 12 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.633 -0.216 18433 5438 1 12 . 1 1 104 104 VAL CA C 104 66.949 66.949 67.336 -0.387 18433 5439 1 12 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.978 -0.156 18433 5440 1 12 . 1 1 104 104 VAL H H 104 8.299 8.299 8.603 -0.304 18433 5441 1 12 . 1 1 105 105 GLN N N 105 118.449 118.449 117.978 0.471 18433 5442 1 12 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.970 0.424 18433 5443 1 12 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.794 0.226 18433 5444 1 12 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.899 0.691 18433 5445 1 12 . 1 1 105 105 GLN H H 105 8.763 8.763 8.064 0.699 18433 5446 1 12 . 1 1 106 106 VAL N N 106 118.643 118.643 119.814 -1.171 18433 5447 1 12 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.687 0.027 18433 5448 1 12 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.372 0.036 18433 5449 1 12 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.821 -0.124 18433 5450 1 12 . 1 1 106 106 VAL H H 106 7.607 7.607 7.554 0.053 18433 5451 1 12 . 1 1 107 107 VAL N N 107 120.205 120.205 119.421 0.784 18433 5452 1 12 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.682 0.047 18433 5453 1 12 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.680 0.693 18433 5454 1 12 . 1 1 107 107 VAL CB C 107 31.318 31.318 32.044 -0.726 18433 5455 1 12 . 1 1 107 107 VAL H H 107 7.329 7.329 7.275 0.054 18433 5456 1 12 . 1 1 108 108 LEU N N 108 123.706 123.706 118.929 4.777 18433 5457 1 12 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.229 -0.206 18433 5458 1 12 . 1 1 108 108 LEU CA C 108 58.902 58.902 57.900 1.002 18433 5459 1 12 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.715 0.260 18433 5460 1 12 . 1 1 108 108 LEU H H 108 8.742 8.742 8.180 0.562 18433 5461 1 12 . 1 1 109 109 GLN N N 109 119.622 119.622 119.018 0.604 18433 5462 1 12 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.131 -0.150 18433 5463 1 12 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.849 0.217 18433 5464 1 12 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.746 -0.479 18433 5465 1 12 . 1 1 109 109 GLN H H 109 8.456 8.456 7.843 0.613 18433 5466 1 12 . 1 1 110 110 GLN N N 110 117.492 117.492 117.399 0.093 18433 5467 1 12 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.070 0.004 18433 5468 1 12 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.186 -0.110 18433 5469 1 12 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.562 0.130 18433 5470 1 12 . 1 1 110 110 GLN H H 110 8.060 8.060 7.874 0.186 18433 5471 1 12 . 1 1 111 111 THR N N 111 112.944 112.944 114.437 -1.493 18433 5472 1 12 . 1 1 111 111 THR HA H 111 4.017 4.017 4.042 -0.025 18433 5473 1 12 . 1 1 111 111 THR CA C 111 65.020 65.020 64.865 0.155 18433 5474 1 12 . 1 1 111 111 THR CB C 111 69.543 69.543 69.371 0.172 18433 5475 1 12 . 1 1 111 111 THR H H 111 7.934 7.934 7.503 0.431 18433 5476 1 12 . 1 1 112 112 TYR N N 112 118.273 118.273 117.765 0.508 18433 5477 1 12 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.532 0.165 18433 5478 1 12 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.408 0.011 18433 5479 1 12 . 1 1 112 112 TYR CB C 112 40.341 40.341 40.282 0.059 18433 5480 1 12 . 1 1 112 112 TYR H H 112 8.404 8.404 8.081 0.323 18433 5481 1 12 . 1 1 113 113 GLY N N 113 109.593 109.593 105.951 3.642 18433 5482 1 12 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.162 0.847 18433 5483 1 12 . 1 1 113 113 GLY H H 113 7.990 7.990 7.977 0.013 18433 5484 1 12 . 1 1 114 114 SER N N 114 113.965 113.965 114.905 -0.940 18433 5485 1 12 . 1 1 114 114 SER HA H 114 4.630 4.630 4.576 0.054 18433 5486 1 12 . 1 1 114 114 SER CA C 114 57.356 57.356 57.432 -0.076 18433 5487 1 12 . 1 1 114 114 SER CB C 114 64.543 64.543 64.644 -0.101 18433 5488 1 12 . 1 1 114 114 SER H H 114 7.636 7.636 7.876 -0.240 18433 5489 1 12 . 1 1 115 115 THR N N 115 110.456 110.456 109.052 1.404 18433 5490 1 12 . 1 1 115 115 THR HA H 115 4.406 4.406 4.653 -0.247 18433 5491 1 12 . 1 1 115 115 THR CA C 115 61.125 61.125 61.151 -0.026 18433 5492 1 12 . 1 1 115 115 THR CB C 115 70.288 70.288 71.193 -0.905 18433 5493 1 12 . 1 1 115 115 THR H H 115 7.828 7.828 7.941 -0.113 18433 5494 1 12 . 1 1 116 116 LEU N N 116 123.832 123.832 121.299 2.533 18433 5495 1 12 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.514 -0.208 18433 5496 1 12 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.550 0.334 18433 5497 1 12 . 1 1 116 116 LEU CB C 116 42.795 42.795 43.883 -1.089 18433 5498 1 12 . 1 1 116 116 LEU H H 116 8.741 8.741 8.495 0.246 18433 5499 1 12 . 1 1 117 117 LYS N N 117 124.713 124.713 124.296 0.417 18433 5500 1 12 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.535 -0.122 18433 5501 1 12 . 1 1 117 117 LYS CA C 117 55.551 55.551 55.571 -0.020 18433 5502 1 12 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.421 1.130 18433 5503 1 12 . 1 1 117 117 LYS H H 117 8.479 8.479 8.795 -0.316 18433 5504 1 12 . 1 1 118 118 VAL N N 118 122.419 122.419 123.852 -1.433 18433 5505 1 12 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.645 -0.403 18433 5506 1 12 . 1 1 118 118 VAL CA C 118 61.955 61.955 60.679 1.276 18433 5507 1 12 . 1 1 118 118 VAL CB C 118 32.837 32.837 31.235 1.602 18433 5508 1 12 . 1 1 118 118 VAL H H 118 8.268 8.268 8.429 -0.161 18433 5509 1 13 . 1 1 24 24 ALA N N 24 123.308 123.308 123.824 -0.516 18433 5510 1 13 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.777 -0.233 18433 5511 1 13 . 1 1 24 24 ALA CA C 24 50.311 50.311 49.922 0.390 18433 5512 1 13 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.157 -0.560 18433 5513 1 13 . 1 1 24 24 ALA H H 24 7.820 7.820 8.212 -0.392 18433 5514 1 13 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.350 0.288 18433 5515 1 13 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.888 0.363 18433 5516 1 13 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.544 1.318 18433 5517 1 13 . 1 1 26 26 ASN N N 26 120.016 120.016 120.756 -0.740 18433 5518 1 13 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.550 -0.323 18433 5519 1 13 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.104 0.519 18433 5520 1 13 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.323 1.816 18433 5521 1 13 . 1 1 26 26 ASN H H 26 9.079 9.079 8.102 0.977 18433 5522 1 13 . 1 1 27 27 LEU N N 27 123.375 123.375 123.205 0.170 18433 5523 1 13 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.534 -0.297 18433 5524 1 13 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.168 -0.865 18433 5525 1 13 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.866 -0.049 18433 5526 1 13 . 1 1 27 27 LEU H H 27 8.098 8.098 8.497 -0.399 18433 5527 1 13 . 1 1 28 28 ALA N N 28 126.889 126.889 129.629 -2.740 18433 5528 1 13 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.964 -0.290 18433 5529 1 13 . 1 1 28 28 ALA CA C 28 52.381 52.381 52.593 -0.212 18433 5530 1 13 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.062 1.867 18433 5531 1 13 . 1 1 28 28 ALA H H 28 9.215 9.215 9.023 0.192 18433 5532 1 13 . 1 1 29 29 GLY N N 29 102.532 102.532 101.834 0.698 18433 5533 1 13 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.739 0.100 18433 5534 1 13 . 1 1 29 29 GLY H H 29 7.943 7.943 8.333 -0.390 18433 5535 1 13 . 1 1 30 30 ALA N N 30 125.002 125.002 121.911 3.091 18433 5536 1 13 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.689 -0.438 18433 5537 1 13 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.832 1.316 18433 5538 1 13 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.517 -1.083 18433 5539 1 13 . 1 1 30 30 ALA H H 30 8.040 8.040 7.563 0.477 18433 5540 1 13 . 1 1 31 31 VAL N N 31 119.492 119.492 124.028 -4.536 18433 5541 1 13 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.048 0.220 18433 5542 1 13 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.880 -1.484 18433 5543 1 13 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.746 2.212 18433 5544 1 13 . 1 1 31 31 VAL H H 31 8.415 8.415 8.567 -0.152 18433 5545 1 13 . 1 1 32 32 GLU N N 32 122.142 122.142 119.043 3.099 18433 5546 1 13 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.286 -0.012 18433 5547 1 13 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.410 -0.214 18433 5548 1 13 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.766 -1.427 18433 5549 1 13 . 1 1 32 32 GLU H H 32 8.757 8.757 7.733 1.024 18433 5550 1 13 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.235 0.020 18433 5551 1 13 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.647 -0.311 18433 5552 1 13 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.653 -1.009 18433 5553 1 13 . 1 1 34 34 SER N N 34 112.028 112.028 115.273 -3.245 18433 5554 1 13 . 1 1 34 34 SER HA H 34 3.652 3.652 3.703 -0.051 18433 5555 1 13 . 1 1 34 34 SER CA C 34 61.642 61.642 62.078 -0.436 18433 5556 1 13 . 1 1 34 34 SER CB C 34 61.807 61.807 62.383 -0.576 18433 5557 1 13 . 1 1 34 34 SER H H 34 8.902 8.902 8.720 0.182 18433 5558 1 13 . 1 1 35 35 ASP N N 35 121.321 121.321 118.943 2.378 18433 5559 1 13 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.372 0.126 18433 5560 1 13 . 1 1 35 35 ASP CA C 35 56.560 56.560 57.234 -0.674 18433 5561 1 13 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.278 0.949 18433 5562 1 13 . 1 1 35 35 ASP H H 35 6.930 6.930 8.376 -1.446 18433 5563 1 13 . 1 1 36 36 VAL N N 36 123.532 123.532 119.794 3.738 18433 5564 1 13 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.483 -0.235 18433 5565 1 13 . 1 1 36 36 VAL CA C 36 67.358 67.358 66.119 1.239 18433 5566 1 13 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.586 0.506 18433 5567 1 13 . 1 1 36 36 VAL H H 36 8.014 8.014 7.563 0.451 18433 5568 1 13 . 1 1 37 37 LYS N N 37 118.036 118.036 117.937 0.099 18433 5569 1 13 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.578 -0.111 18433 5570 1 13 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.243 1.006 18433 5571 1 13 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.531 0.778 18433 5572 1 13 . 1 1 37 37 LYS H H 37 8.384 8.384 7.822 0.562 18433 5573 1 13 . 1 1 38 38 THR N N 38 115.765 115.765 116.460 -0.695 18433 5574 1 13 . 1 1 38 38 THR HA H 38 3.872 3.872 4.075 -0.203 18433 5575 1 13 . 1 1 38 38 THR CA C 38 66.652 66.652 66.585 0.067 18433 5576 1 13 . 1 1 38 38 THR CB C 38 68.664 68.664 68.581 0.084 18433 5577 1 13 . 1 1 38 38 THR H H 38 7.344 7.344 7.418 -0.074 18433 5578 1 13 . 1 1 39 39 LEU N N 39 123.362 123.362 121.332 2.030 18433 5579 1 13 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.375 -0.028 18433 5580 1 13 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.610 0.647 18433 5581 1 13 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.762 1.544 18433 5582 1 13 . 1 1 39 39 LEU H H 39 7.701 7.701 7.450 0.251 18433 5583 1 13 . 1 1 40 40 LEU N N 40 118.128 118.128 119.941 -1.813 18433 5584 1 13 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.157 0.218 18433 5585 1 13 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.253 0.058 18433 5586 1 13 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.433 1.355 18433 5587 1 13 . 1 1 40 40 LEU H H 40 8.434 8.434 7.823 0.611 18433 5588 1 13 . 1 1 41 41 LYS N N 41 117.838 117.838 119.296 -1.458 18433 5589 1 13 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.855 0.007 18433 5590 1 13 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.925 -0.029 18433 5591 1 13 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.639 -0.943 18433 5592 1 13 . 1 1 41 41 LYS H H 41 8.571 8.571 8.543 0.028 18433 5593 1 13 . 1 1 42 42 GLU N N 42 122.248 122.248 117.179 5.069 18433 5594 1 13 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.218 -0.327 18433 5595 1 13 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.228 1.718 18433 5596 1 13 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.384 0.220 18433 5597 1 13 . 1 1 42 42 GLU H H 42 8.276 8.276 7.766 0.510 18433 5598 1 13 . 1 1 43 43 TRP N N 43 123.115 123.115 121.497 1.618 18433 5599 1 13 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.479 -1.454 18433 5600 1 13 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.538 -1.733 18433 5601 1 13 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.490 -0.838 18433 5602 1 13 . 1 1 43 43 TRP H H 43 8.318 8.318 8.054 0.264 18433 5603 1 13 . 1 1 44 44 ILE N N 44 112.941 112.941 113.934 -0.993 18433 5604 1 13 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.461 -0.922 18433 5605 1 13 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.089 1.352 18433 5606 1 13 . 1 1 44 44 ILE CB C 44 38.393 38.393 37.947 0.446 18433 5607 1 13 . 1 1 44 44 ILE H H 44 7.567 7.567 7.488 0.079 18433 5608 1 13 . 1 1 45 45 THR N N 45 106.451 106.451 113.383 -6.932 18433 5609 1 13 . 1 1 45 45 THR HA H 45 4.080 4.080 4.282 -0.202 18433 5610 1 13 . 1 1 45 45 THR CA C 45 63.681 63.681 63.786 -0.105 18433 5611 1 13 . 1 1 45 45 THR CB C 45 70.147 70.147 69.218 0.930 18433 5612 1 13 . 1 1 45 45 THR H H 45 7.653 7.653 7.649 0.004 18433 5613 1 13 . 1 1 46 46 THR N N 46 110.600 110.600 116.603 -6.003 18433 5614 1 13 . 1 1 46 46 THR HA H 46 4.557 4.557 4.253 0.304 18433 5615 1 13 . 1 1 46 46 THR CA C 46 62.972 62.972 64.615 -1.643 18433 5616 1 13 . 1 1 46 46 THR CB C 46 71.039 71.039 69.285 1.754 18433 5617 1 13 . 1 1 46 46 THR H H 46 7.502 7.502 8.259 -0.757 18433 5618 1 13 . 1 1 47 47 ILE N N 47 124.370 124.370 121.013 3.357 18433 5619 1 13 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.347 0.126 18433 5620 1 13 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.612 -2.010 18433 5621 1 13 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.828 -4.327 18433 5622 1 13 . 1 1 47 47 ILE H H 47 7.533 7.533 7.398 0.135 18433 5623 1 13 . 1 1 48 48 SER N N 48 119.846 119.846 120.811 -0.965 18433 5624 1 13 . 1 1 48 48 SER HA H 48 4.498 4.498 4.756 -0.258 18433 5625 1 13 . 1 1 48 48 SER CA C 48 59.280 59.280 58.923 0.357 18433 5626 1 13 . 1 1 48 48 SER CB C 48 63.813 63.813 64.601 -0.788 18433 5627 1 13 . 1 1 48 48 SER H H 48 8.423 8.423 8.802 -0.379 18433 5628 1 13 . 1 1 49 49 ASP N N 49 119.475 119.475 121.024 -1.549 18433 5629 1 13 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.773 0.026 18433 5630 1 13 . 1 1 49 49 ASP CA C 49 50.804 50.804 51.405 -0.601 18433 5631 1 13 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.081 0.400 18433 5632 1 13 . 1 1 49 49 ASP H H 49 7.298 7.298 8.020 -0.722 18433 5633 1 13 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.454 -0.286 18433 5634 1 13 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.677 -0.765 18433 5635 1 13 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.441 -0.694 18433 5636 1 13 . 1 1 51 51 MET N N 51 121.983 121.983 120.947 1.036 18433 5637 1 13 . 1 1 51 51 MET HA H 51 4.492 4.492 4.548 -0.056 18433 5638 1 13 . 1 1 51 51 MET CA C 51 55.165 55.165 54.453 0.712 18433 5639 1 13 . 1 1 51 51 MET CB C 51 33.974 33.974 33.965 0.009 18433 5640 1 13 . 1 1 51 51 MET H H 51 9.258 9.258 8.183 1.075 18433 5641 1 13 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.692 0.140 18433 5642 1 13 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.699 -0.200 18433 5643 1 13 . 1 1 52 52 GLU CB C 52 29.723 29.723 28.988 0.735 18433 5644 1 13 . 1 1 53 53 GLU N N 53 116.755 116.755 118.741 -1.986 18433 5645 1 13 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.162 -0.097 18433 5646 1 13 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.560 0.611 18433 5647 1 13 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.721 0.923 18433 5648 1 13 . 1 1 53 53 GLU H H 53 9.834 9.834 8.725 1.109 18433 5649 1 13 . 1 1 54 54 ASP N N 54 117.972 117.972 119.842 -1.870 18433 5650 1 13 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.350 0.648 18433 5651 1 13 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.263 0.798 18433 5652 1 13 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.383 1.883 18433 5653 1 13 . 1 1 54 54 ASP H H 54 7.348 7.348 8.456 -1.108 18433 5654 1 13 . 1 1 55 55 ILE N N 55 122.004 122.004 119.520 2.484 18433 5655 1 13 . 1 1 55 55 ILE HA H 55 3.935 3.935 4.043 -0.108 18433 5656 1 13 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.694 1.837 18433 5657 1 13 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.317 -0.178 18433 5658 1 13 . 1 1 55 55 ILE H H 55 8.081 8.081 8.127 -0.046 18433 5659 1 13 . 1 1 56 56 LEU N N 56 117.547 117.547 121.562 -4.015 18433 5660 1 13 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.132 0.018 18433 5661 1 13 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.427 -0.492 18433 5662 1 13 . 1 1 56 56 LEU CB C 56 40.977 40.977 41.604 -0.627 18433 5663 1 13 . 1 1 56 56 LEU H H 56 8.770 8.770 8.458 0.312 18433 5664 1 13 . 1 1 57 57 GLN N N 57 119.917 119.917 117.385 2.532 18433 5665 1 13 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.031 0.035 18433 5666 1 13 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.884 1.487 18433 5667 1 13 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.247 -0.307 18433 5668 1 13 . 1 1 57 57 GLN H H 57 7.734 7.734 8.005 -0.271 18433 5669 1 13 . 1 1 58 58 VAL N N 58 122.347 122.347 118.811 3.536 18433 5670 1 13 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.820 -0.205 18433 5671 1 13 . 1 1 58 58 VAL CA C 58 67.230 67.230 64.669 2.561 18433 5672 1 13 . 1 1 58 58 VAL CB C 58 31.272 31.272 30.995 0.277 18433 5673 1 13 . 1 1 58 58 VAL H H 58 7.727 7.727 7.863 -0.136 18433 5674 1 13 . 1 1 59 59 VAL N N 59 121.131 121.131 121.577 -0.446 18433 5675 1 13 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.586 -0.180 18433 5676 1 13 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.870 1.178 18433 5677 1 13 . 1 1 59 59 VAL CB C 59 31.542 31.542 31.327 0.215 18433 5678 1 13 . 1 1 59 59 VAL H H 59 8.341 8.341 7.691 0.650 18433 5679 1 13 . 1 1 60 60 ARG N N 60 120.942 120.942 117.916 3.026 18433 5680 1 13 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.125 -0.010 18433 5681 1 13 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.407 0.006 18433 5682 1 13 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.555 0.186 18433 5683 1 13 . 1 1 60 60 ARG H H 60 8.457 8.457 7.813 0.644 18433 5684 1 13 . 1 1 61 61 TYR N N 61 120.718 120.718 121.525 -0.807 18433 5685 1 13 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.316 0.250 18433 5686 1 13 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.634 -0.880 18433 5687 1 13 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.575 -0.222 18433 5688 1 13 . 1 1 61 61 TYR H H 61 7.833 7.833 7.448 0.385 18433 5689 1 13 . 1 1 62 62 CYS N N 62 114.924 114.924 117.313 -2.389 18433 5690 1 13 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.904 -0.231 18433 5691 1 13 . 1 1 62 62 CYS CA C 62 64.281 64.281 64.145 0.136 18433 5692 1 13 . 1 1 62 62 CYS CB C 62 27.717 27.717 28.090 -0.373 18433 5693 1 13 . 1 1 62 62 CYS H H 62 8.079 8.079 8.485 -0.406 18433 5694 1 13 . 1 1 63 63 THR N N 63 114.103 114.103 113.789 0.314 18433 5695 1 13 . 1 1 63 63 THR HA H 63 3.852 3.852 3.995 -0.143 18433 5696 1 13 . 1 1 63 63 THR CA C 63 66.871 66.871 66.237 0.634 18433 5697 1 13 . 1 1 63 63 THR CB C 63 67.762 67.762 68.163 -0.401 18433 5698 1 13 . 1 1 63 63 THR H H 63 8.721 8.721 8.479 0.242 18433 5699 1 13 . 1 1 64 64 ASP N N 64 126.664 126.664 121.940 4.724 18433 5700 1 13 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.559 -0.138 18433 5701 1 13 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.837 0.947 18433 5702 1 13 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.057 -0.816 18433 5703 1 13 . 1 1 64 64 ASP H H 64 8.771 8.771 7.407 1.364 18433 5704 1 13 . 1 1 65 65 LEU N N 65 119.722 119.722 120.956 -1.234 18433 5705 1 13 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.939 -0.067 18433 5706 1 13 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.876 0.375 18433 5707 1 13 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.633 -0.143 18433 5708 1 13 . 1 1 65 65 LEU H H 65 7.850 7.850 7.296 0.554 18433 5709 1 13 . 1 1 66 66 ILE N N 66 119.189 119.189 118.965 0.224 18433 5710 1 13 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.870 -0.472 18433 5711 1 13 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.703 0.495 18433 5712 1 13 . 1 1 66 66 ILE CB C 66 37.730 37.730 37.891 -0.161 18433 5713 1 13 . 1 1 66 66 ILE H H 66 7.636 7.636 7.445 0.191 18433 5714 1 13 . 1 1 67 67 GLU N N 67 123.166 123.166 118.103 5.063 18433 5715 1 13 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.105 -0.110 18433 5716 1 13 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.614 0.981 18433 5717 1 13 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.126 0.057 18433 5718 1 13 . 1 1 67 67 GLU H H 67 8.512 8.512 7.684 0.828 18433 5719 1 13 . 1 1 68 68 GLU N N 68 116.524 116.524 117.165 -0.641 18433 5720 1 13 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.261 0.034 18433 5721 1 13 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.637 -0.859 18433 5722 1 13 . 1 1 68 68 GLU CB C 68 29.535 29.535 30.044 -0.509 18433 5723 1 13 . 1 1 68 68 GLU H H 68 7.633 7.633 8.175 -0.542 18433 5724 1 13 . 1 1 69 69 LYS N N 69 116.625 116.625 115.086 1.539 18433 5725 1 13 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.111 -0.466 18433 5726 1 13 . 1 1 69 69 LYS CA C 69 57.369 57.369 56.798 0.571 18433 5727 1 13 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.368 0.432 18433 5728 1 13 . 1 1 69 69 LYS H H 69 8.066 8.066 7.849 0.217 18433 5729 1 13 . 1 1 70 70 ASP N N 70 122.727 122.727 118.737 3.990 18433 5730 1 13 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.887 0.153 18433 5731 1 13 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.472 -2.076 18433 5732 1 13 . 1 1 70 70 ASP CB C 70 38.761 38.761 40.995 -2.234 18433 5733 1 13 . 1 1 70 70 ASP H H 70 8.483 8.483 8.539 -0.056 18433 5734 1 13 . 1 1 71 71 LEU N N 71 119.712 119.712 120.420 -0.708 18433 5735 1 13 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.817 0.064 18433 5736 1 13 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.782 -1.270 18433 5737 1 13 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.300 -1.053 18433 5738 1 13 . 1 1 71 71 LEU H H 71 7.515 7.515 8.189 -0.674 18433 5739 1 13 . 1 1 72 72 GLU N N 72 121.320 121.320 119.813 1.507 18433 5740 1 13 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.864 0.184 18433 5741 1 13 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.667 -0.161 18433 5742 1 13 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.316 0.003 18433 5743 1 13 . 1 1 72 72 GLU H H 72 8.561 8.561 8.602 -0.041 18433 5744 1 13 . 1 1 73 73 LYS N N 73 119.338 119.338 118.096 1.242 18433 5745 1 13 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.981 -0.244 18433 5746 1 13 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.423 1.085 18433 5747 1 13 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.309 0.059 18433 5748 1 13 . 1 1 73 73 LYS H H 73 7.448 7.448 7.619 -0.171 18433 5749 1 13 . 1 1 74 74 LEU N N 74 117.830 117.830 123.843 -6.013 18433 5750 1 13 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.043 -0.163 18433 5751 1 13 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.717 -0.775 18433 5752 1 13 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.799 -0.303 18433 5753 1 13 . 1 1 74 74 LEU H H 74 7.516 7.516 7.464 0.052 18433 5754 1 13 . 1 1 75 75 ASP N N 75 117.736 117.736 118.764 -1.028 18433 5755 1 13 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.427 -0.185 18433 5756 1 13 . 1 1 75 75 ASP CA C 75 57.852 57.852 57.360 0.492 18433 5757 1 13 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.673 1.649 18433 5758 1 13 . 1 1 75 75 ASP H H 75 7.828 7.828 7.985 -0.157 18433 5759 1 13 . 1 1 76 76 LEU N N 76 116.254 116.254 119.870 -3.616 18433 5760 1 13 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.182 -0.272 18433 5761 1 13 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.655 0.302 18433 5762 1 13 . 1 1 76 76 LEU CB C 76 41.827 41.827 42.021 -0.194 18433 5763 1 13 . 1 1 76 76 LEU H H 76 7.454 7.454 7.284 0.170 18433 5764 1 13 . 1 1 77 77 VAL N N 77 120.653 120.653 119.062 1.591 18433 5765 1 13 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.908 0.056 18433 5766 1 13 . 1 1 77 77 VAL CA C 77 66.879 66.879 65.847 1.032 18433 5767 1 13 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.063 0.956 18433 5768 1 13 . 1 1 77 77 VAL H H 77 8.626 8.626 8.534 0.092 18433 5769 1 13 . 1 1 78 78 ILE N N 78 122.189 122.189 120.724 1.465 18433 5770 1 13 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.968 0.018 18433 5771 1 13 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.618 -0.777 18433 5772 1 13 . 1 1 78 78 ILE CB C 78 35.672 35.672 37.038 -1.367 18433 5773 1 13 . 1 1 78 78 ILE H H 78 8.755 8.755 8.969 -0.214 18433 5774 1 13 . 1 1 79 79 LYS N N 79 119.030 119.030 120.258 -1.228 18433 5775 1 13 . 1 1 79 79 LYS HA H 79 3.881 3.881 4.003 -0.122 18433 5776 1 13 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.995 1.443 18433 5777 1 13 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.676 0.946 18433 5778 1 13 . 1 1 79 79 LYS H H 79 8.413 8.413 8.011 0.402 18433 5779 1 13 . 1 1 80 80 TYR N N 80 121.226 121.226 121.342 -0.116 18433 5780 1 13 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.271 0.037 18433 5781 1 13 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.286 0.718 18433 5782 1 13 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.409 -0.398 18433 5783 1 13 . 1 1 80 80 TYR H H 80 8.205 8.205 7.751 0.454 18433 5784 1 13 . 1 1 81 81 MET N N 81 116.428 116.428 117.870 -1.442 18433 5785 1 13 . 1 1 81 81 MET HA H 81 3.711 3.711 4.159 -0.448 18433 5786 1 13 . 1 1 81 81 MET CA C 81 60.733 60.733 58.984 1.749 18433 5787 1 13 . 1 1 81 81 MET CB C 81 33.894 33.894 32.972 0.922 18433 5788 1 13 . 1 1 81 81 MET H H 81 8.578 8.578 8.619 -0.041 18433 5789 1 13 . 1 1 82 82 LYS N N 82 119.778 119.778 119.125 0.653 18433 5790 1 13 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.360 -0.667 18433 5791 1 13 . 1 1 82 82 LYS CA C 82 59.983 59.983 58.568 1.415 18433 5792 1 13 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.001 1.790 18433 5793 1 13 . 1 1 82 82 LYS H H 82 8.594 8.594 8.416 0.178 18433 5794 1 13 . 1 1 83 83 ARG N N 83 116.474 116.474 119.400 -2.926 18433 5795 1 13 . 1 1 83 83 ARG HA H 83 3.854 3.854 4.048 -0.194 18433 5796 1 13 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.508 -0.027 18433 5797 1 13 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.644 -0.042 18433 5798 1 13 . 1 1 83 83 ARG H H 83 7.145 7.145 7.354 -0.209 18433 5799 1 13 . 1 1 84 84 LEU N N 84 116.576 116.576 120.782 -4.206 18433 5800 1 13 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.936 -0.108 18433 5801 1 13 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.095 -0.161 18433 5802 1 13 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.901 1.138 18433 5803 1 13 . 1 1 84 84 LEU H H 84 7.284 7.284 7.074 0.209 18433 5804 1 13 . 1 1 85 85 MET N N 85 115.841 115.841 115.666 0.175 18433 5805 1 13 . 1 1 85 85 MET HA H 85 3.756 3.756 3.673 0.083 18433 5806 1 13 . 1 1 85 85 MET CA C 85 59.260 59.260 58.238 1.022 18433 5807 1 13 . 1 1 85 85 MET CB C 85 32.487 32.487 32.426 0.061 18433 5808 1 13 . 1 1 85 85 MET H H 85 8.683 8.683 7.865 0.818 18433 5809 1 13 . 1 1 86 86 GLN N N 86 114.640 114.640 114.829 -0.189 18433 5810 1 13 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.091 0.270 18433 5811 1 13 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.505 -0.648 18433 5812 1 13 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.359 -1.729 18433 5813 1 13 . 1 1 86 86 GLN H H 86 7.513 7.513 7.506 0.007 18433 5814 1 13 . 1 1 87 87 GLN N N 87 117.352 117.352 116.930 0.422 18433 5815 1 13 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.194 0.028 18433 5816 1 13 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.375 -0.041 18433 5817 1 13 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.699 0.440 18433 5818 1 13 . 1 1 87 87 GLN H H 87 7.277 7.277 7.531 -0.254 18433 5819 1 13 . 1 1 88 88 SER N N 88 113.778 113.778 116.748 -2.970 18433 5820 1 13 . 1 1 88 88 SER HA H 88 4.431 4.431 4.254 0.177 18433 5821 1 13 . 1 1 88 88 SER CA C 88 58.372 58.372 59.475 -1.103 18433 5822 1 13 . 1 1 88 88 SER CB C 88 63.525 63.525 63.609 -0.084 18433 5823 1 13 . 1 1 88 88 SER H H 88 7.482 7.482 7.563 -0.081 18433 5824 1 13 . 1 1 89 89 VAL N N 89 120.934 120.934 118.983 1.951 18433 5825 1 13 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.180 -0.017 18433 5826 1 13 . 1 1 89 89 VAL CA C 89 62.661 62.661 63.261 -0.600 18433 5827 1 13 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.444 -0.472 18433 5828 1 13 . 1 1 89 89 VAL H H 89 8.188 8.188 8.580 -0.392 18433 5829 1 13 . 1 1 90 90 GLU N N 90 120.714 120.714 120.538 0.176 18433 5830 1 13 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.499 -0.058 18433 5831 1 13 . 1 1 90 90 GLU CA C 90 55.945 55.945 56.145 -0.200 18433 5832 1 13 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.886 -0.279 18433 5833 1 13 . 1 1 90 90 GLU H H 90 8.411 8.411 8.189 0.222 18433 5834 1 13 . 1 1 91 91 SER HA H 91 4.451 4.451 4.206 0.245 18433 5835 1 13 . 1 1 91 91 SER CA C 91 59.681 59.681 60.934 -1.253 18433 5836 1 13 . 1 1 91 91 SER CB C 91 63.893 63.893 63.269 0.624 18433 5837 1 13 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.754 0.258 18433 5838 1 13 . 1 1 92 92 VAL CA C 92 64.738 64.738 65.164 -0.426 18433 5839 1 13 . 1 1 92 92 VAL CB C 92 31.013 31.013 31.468 -0.455 18433 5840 1 13 . 1 1 93 93 TRP N N 93 121.614 121.614 119.011 2.603 18433 5841 1 13 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.314 0.185 18433 5842 1 13 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.797 -1.121 18433 5843 1 13 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.270 0.587 18433 5844 1 13 . 1 1 93 93 TRP H H 93 7.551 7.551 7.413 0.138 18433 5845 1 13 . 1 1 94 94 ASN N N 94 119.013 119.013 117.656 1.357 18433 5846 1 13 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.460 -0.065 18433 5847 1 13 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.680 0.558 18433 5848 1 13 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.603 0.144 18433 5849 1 13 . 1 1 94 94 ASN H H 94 7.794 7.794 7.995 -0.201 18433 5850 1 13 . 1 1 95 95 MET N N 95 117.158 117.158 118.288 -1.130 18433 5851 1 13 . 1 1 95 95 MET HA H 95 4.346 4.346 4.382 -0.036 18433 5852 1 13 . 1 1 95 95 MET CA C 95 58.445 58.445 58.713 -0.268 18433 5853 1 13 . 1 1 95 95 MET CB C 95 32.436 32.436 32.493 -0.057 18433 5854 1 13 . 1 1 95 95 MET H H 95 7.751 7.751 7.578 0.173 18433 5855 1 13 . 1 1 96 96 ALA N N 96 123.406 123.406 123.559 -0.153 18433 5856 1 13 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.062 0.145 18433 5857 1 13 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.425 0.020 18433 5858 1 13 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.307 -0.802 18433 5859 1 13 . 1 1 96 96 ALA H H 96 7.920 7.920 7.793 0.127 18433 5860 1 13 . 1 1 97 97 PHE N N 97 117.830 117.830 118.892 -1.062 18433 5861 1 13 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.350 -0.146 18433 5862 1 13 . 1 1 97 97 PHE CA C 97 62.853 62.853 60.334 2.519 18433 5863 1 13 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.081 -0.934 18433 5864 1 13 . 1 1 97 97 PHE H H 97 8.431 8.431 8.120 0.311 18433 5865 1 13 . 1 1 98 98 ASP N N 98 118.570 118.570 120.073 -1.503 18433 5866 1 13 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.080 0.168 18433 5867 1 13 . 1 1 98 98 ASP CA C 98 57.702 57.702 56.837 0.865 18433 5868 1 13 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.765 -0.365 18433 5869 1 13 . 1 1 98 98 ASP H H 98 7.805 7.805 7.699 0.106 18433 5870 1 13 . 1 1 99 99 PHE N N 99 119.874 119.874 121.300 -1.426 18433 5871 1 13 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.140 0.154 18433 5872 1 13 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.663 -0.480 18433 5873 1 13 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.030 0.452 18433 5874 1 13 . 1 1 99 99 PHE H H 99 7.920 7.920 8.176 -0.256 18433 5875 1 13 . 1 1 100 100 ILE N N 100 122.589 122.589 118.994 3.595 18433 5876 1 13 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.431 -0.028 18433 5877 1 13 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.488 0.609 18433 5878 1 13 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.963 0.729 18433 5879 1 13 . 1 1 100 100 ILE H H 100 8.573 8.573 7.758 0.815 18433 5880 1 13 . 1 1 101 101 LEU N N 101 119.531 119.531 120.493 -0.962 18433 5881 1 13 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.780 -0.066 18433 5882 1 13 . 1 1 101 101 LEU CA C 101 57.998 57.998 58.153 -0.155 18433 5883 1 13 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.206 -0.499 18433 5884 1 13 . 1 1 101 101 LEU H H 101 8.716 8.716 7.557 1.159 18433 5885 1 13 . 1 1 102 102 ASP N N 102 118.371 118.371 118.787 -0.416 18433 5886 1 13 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.353 -0.102 18433 5887 1 13 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.790 0.703 18433 5888 1 13 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.504 0.275 18433 5889 1 13 . 1 1 102 102 ASP H H 102 8.343 8.343 8.338 0.005 18433 5890 1 13 . 1 1 103 103 ASN N N 103 115.409 115.409 116.416 -1.007 18433 5891 1 13 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.630 -0.497 18433 5892 1 13 . 1 1 103 103 ASN CA C 103 57.079 57.079 54.852 2.227 18433 5893 1 13 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.578 -0.588 18433 5894 1 13 . 1 1 103 103 ASN H H 103 7.393 7.393 7.305 0.088 18433 5895 1 13 . 1 1 104 104 VAL N N 104 119.972 119.972 121.902 -1.930 18433 5896 1 13 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.747 -0.330 18433 5897 1 13 . 1 1 104 104 VAL CA C 104 66.949 66.949 66.822 0.127 18433 5898 1 13 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.376 0.446 18433 5899 1 13 . 1 1 104 104 VAL H H 104 8.299 8.299 8.606 -0.307 18433 5900 1 13 . 1 1 105 105 GLN N N 105 118.449 118.449 117.875 0.574 18433 5901 1 13 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.979 0.415 18433 5902 1 13 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.702 0.318 18433 5903 1 13 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.762 0.828 18433 5904 1 13 . 1 1 105 105 GLN H H 105 8.763 8.763 8.084 0.679 18433 5905 1 13 . 1 1 106 106 VAL N N 106 118.643 118.643 119.895 -1.252 18433 5906 1 13 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.790 -0.076 18433 5907 1 13 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.238 0.170 18433 5908 1 13 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.332 0.365 18433 5909 1 13 . 1 1 106 106 VAL H H 106 7.607 7.607 7.616 -0.009 18433 5910 1 13 . 1 1 107 107 VAL N N 107 120.205 120.205 120.082 0.123 18433 5911 1 13 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.760 -0.031 18433 5912 1 13 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.754 0.619 18433 5913 1 13 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.572 -0.254 18433 5914 1 13 . 1 1 107 107 VAL H H 107 7.329 7.329 7.410 -0.081 18433 5915 1 13 . 1 1 108 108 LEU N N 108 123.706 123.706 118.790 4.916 18433 5916 1 13 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.315 -0.292 18433 5917 1 13 . 1 1 108 108 LEU CA C 108 58.902 58.902 57.900 1.002 18433 5918 1 13 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.529 0.446 18433 5919 1 13 . 1 1 108 108 LEU H H 108 8.742 8.742 8.344 0.398 18433 5920 1 13 . 1 1 109 109 GLN N N 109 119.622 119.622 118.980 0.642 18433 5921 1 13 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.142 -0.161 18433 5922 1 13 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.821 0.245 18433 5923 1 13 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.779 -0.512 18433 5924 1 13 . 1 1 109 109 GLN H H 109 8.456 8.456 7.964 0.492 18433 5925 1 13 . 1 1 110 110 GLN N N 110 117.492 117.492 117.353 0.139 18433 5926 1 13 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.088 -0.014 18433 5927 1 13 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.162 -0.086 18433 5928 1 13 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.599 0.094 18433 5929 1 13 . 1 1 110 110 GLN H H 110 8.060 8.060 7.936 0.124 18433 5930 1 13 . 1 1 111 111 THR N N 111 112.944 112.944 113.833 -0.889 18433 5931 1 13 . 1 1 111 111 THR HA H 111 4.017 4.017 4.042 -0.025 18433 5932 1 13 . 1 1 111 111 THR CA C 111 65.020 65.020 64.748 0.272 18433 5933 1 13 . 1 1 111 111 THR CB C 111 69.543 69.543 69.602 -0.059 18433 5934 1 13 . 1 1 111 111 THR H H 111 7.934 7.934 7.434 0.500 18433 5935 1 13 . 1 1 112 112 TYR N N 112 118.273 118.273 117.295 0.978 18433 5936 1 13 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.500 0.197 18433 5937 1 13 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.361 0.059 18433 5938 1 13 . 1 1 112 112 TYR CB C 112 40.341 40.341 40.299 0.042 18433 5939 1 13 . 1 1 112 112 TYR H H 112 8.404 8.404 8.103 0.301 18433 5940 1 13 . 1 1 113 113 GLY N N 113 109.593 109.593 105.293 4.300 18433 5941 1 13 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.099 0.909 18433 5942 1 13 . 1 1 113 113 GLY H H 113 7.990 7.990 7.884 0.106 18433 5943 1 13 . 1 1 114 114 SER N N 114 113.965 113.965 115.388 -1.423 18433 5944 1 13 . 1 1 114 114 SER HA H 114 4.630 4.630 4.645 -0.015 18433 5945 1 13 . 1 1 114 114 SER CA C 114 57.356 57.356 57.249 0.107 18433 5946 1 13 . 1 1 114 114 SER CB C 114 64.543 64.543 63.910 0.633 18433 5947 1 13 . 1 1 114 114 SER H H 114 7.636 7.636 7.991 -0.355 18433 5948 1 13 . 1 1 115 115 THR N N 115 110.456 110.456 110.985 -0.529 18433 5949 1 13 . 1 1 115 115 THR HA H 115 4.406 4.406 4.601 -0.195 18433 5950 1 13 . 1 1 115 115 THR CA C 115 61.125 61.125 60.783 0.342 18433 5951 1 13 . 1 1 115 115 THR CB C 115 70.288 70.288 70.877 -0.589 18433 5952 1 13 . 1 1 115 115 THR H H 115 7.828 7.828 7.938 -0.110 18433 5953 1 13 . 1 1 116 116 LEU N N 116 123.832 123.832 121.730 2.102 18433 5954 1 13 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.504 -0.198 18433 5955 1 13 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.205 0.678 18433 5956 1 13 . 1 1 116 116 LEU CB C 116 42.795 42.795 43.148 -0.353 18433 5957 1 13 . 1 1 116 116 LEU H H 116 8.741 8.741 8.473 0.268 18433 5958 1 13 . 1 1 117 117 LYS N N 117 124.713 124.713 124.209 0.504 18433 5959 1 13 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.455 -0.042 18433 5960 1 13 . 1 1 117 117 LYS CA C 117 55.551 55.551 55.611 -0.060 18433 5961 1 13 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.186 1.365 18433 5962 1 13 . 1 1 117 117 LYS H H 117 8.479 8.479 8.674 -0.195 18433 5963 1 13 . 1 1 118 118 VAL N N 118 122.419 122.419 122.534 -0.115 18433 5964 1 13 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.659 -0.417 18433 5965 1 13 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.278 0.677 18433 5966 1 13 . 1 1 118 118 VAL CB C 118 32.837 32.837 31.373 1.464 18433 5967 1 13 . 1 1 118 118 VAL H H 118 8.268 8.268 8.564 -0.296 18433 5968 1 14 . 1 1 24 24 ALA N N 24 123.308 123.308 124.431 -1.123 18433 5969 1 14 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.636 -0.092 18433 5970 1 14 . 1 1 24 24 ALA CA C 24 50.311 50.311 49.964 0.347 18433 5971 1 14 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.095 -0.498 18433 5972 1 14 . 1 1 24 24 ALA H H 24 7.820 7.820 8.023 -0.203 18433 5973 1 14 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.366 0.272 18433 5974 1 14 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.951 0.300 18433 5975 1 14 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.408 1.454 18433 5976 1 14 . 1 1 26 26 ASN N N 26 120.016 120.016 119.991 0.025 18433 5977 1 14 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.503 -0.276 18433 5978 1 14 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.034 0.589 18433 5979 1 14 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.370 1.769 18433 5980 1 14 . 1 1 26 26 ASN H H 26 9.079 9.079 8.060 1.019 18433 5981 1 14 . 1 1 27 27 LEU N N 27 123.375 123.375 122.738 0.637 18433 5982 1 14 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.471 -0.234 18433 5983 1 14 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.273 -0.970 18433 5984 1 14 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.736 0.081 18433 5985 1 14 . 1 1 27 27 LEU H H 27 8.098 8.098 8.388 -0.290 18433 5986 1 14 . 1 1 28 28 ALA N N 28 126.889 126.889 129.531 -2.642 18433 5987 1 14 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.966 -0.292 18433 5988 1 14 . 1 1 28 28 ALA CA C 28 52.381 52.381 52.602 -0.221 18433 5989 1 14 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.062 1.867 18433 5990 1 14 . 1 1 28 28 ALA H H 28 9.215 9.215 9.024 0.191 18433 5991 1 14 . 1 1 29 29 GLY N N 29 102.532 102.532 101.720 0.812 18433 5992 1 14 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.725 0.113 18433 5993 1 14 . 1 1 29 29 GLY H H 29 7.943 7.943 8.332 -0.389 18433 5994 1 14 . 1 1 30 30 ALA N N 30 125.002 125.002 121.923 3.079 18433 5995 1 14 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.689 -0.438 18433 5996 1 14 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.752 1.396 18433 5997 1 14 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.261 -0.827 18433 5998 1 14 . 1 1 30 30 ALA H H 30 8.040 8.040 7.571 0.469 18433 5999 1 14 . 1 1 31 31 VAL N N 31 119.492 119.492 124.586 -5.094 18433 6000 1 14 . 1 1 31 31 VAL HA H 31 4.268 4.268 3.989 0.279 18433 6001 1 14 . 1 1 31 31 VAL CA C 31 62.397 62.397 64.051 -1.654 18433 6002 1 14 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.485 2.473 18433 6003 1 14 . 1 1 31 31 VAL H H 31 8.415 8.415 8.598 -0.183 18433 6004 1 14 . 1 1 32 32 GLU N N 32 122.142 122.142 118.935 3.207 18433 6005 1 14 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.289 -0.015 18433 6006 1 14 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.178 0.017 18433 6007 1 14 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.740 -1.401 18433 6008 1 14 . 1 1 32 32 GLU H H 32 8.757 8.757 7.722 1.035 18433 6009 1 14 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.254 0.001 18433 6010 1 14 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.699 -0.363 18433 6011 1 14 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.621 -0.977 18433 6012 1 14 . 1 1 34 34 SER N N 34 112.028 112.028 114.643 -2.615 18433 6013 1 14 . 1 1 34 34 SER HA H 34 3.652 3.652 3.720 -0.068 18433 6014 1 14 . 1 1 34 34 SER CA C 34 61.642 61.642 61.717 -0.075 18433 6015 1 14 . 1 1 34 34 SER CB C 34 61.807 61.807 62.334 -0.527 18433 6016 1 14 . 1 1 34 34 SER H H 34 8.902 8.902 8.658 0.244 18433 6017 1 14 . 1 1 35 35 ASP N N 35 121.321 121.321 120.155 1.166 18433 6018 1 14 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.450 0.048 18433 6019 1 14 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.767 -0.207 18433 6020 1 14 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.277 0.950 18433 6021 1 14 . 1 1 35 35 ASP H H 35 6.930 6.930 8.531 -1.601 18433 6022 1 14 . 1 1 36 36 VAL N N 36 123.532 123.532 119.944 3.588 18433 6023 1 14 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.467 -0.219 18433 6024 1 14 . 1 1 36 36 VAL CA C 36 67.358 67.358 66.596 0.762 18433 6025 1 14 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.832 0.260 18433 6026 1 14 . 1 1 36 36 VAL H H 36 8.014 8.014 7.463 0.551 18433 6027 1 14 . 1 1 37 37 LYS N N 37 118.036 118.036 117.945 0.091 18433 6028 1 14 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.550 -0.083 18433 6029 1 14 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.261 0.987 18433 6030 1 14 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.436 0.873 18433 6031 1 14 . 1 1 37 37 LYS H H 37 8.384 8.384 7.882 0.502 18433 6032 1 14 . 1 1 38 38 THR N N 38 115.765 115.765 116.529 -0.764 18433 6033 1 14 . 1 1 38 38 THR HA H 38 3.872 3.872 4.069 -0.197 18433 6034 1 14 . 1 1 38 38 THR CA C 38 66.652 66.652 66.787 -0.135 18433 6035 1 14 . 1 1 38 38 THR CB C 38 68.664 68.664 68.525 0.139 18433 6036 1 14 . 1 1 38 38 THR H H 38 7.344 7.344 7.399 -0.055 18433 6037 1 14 . 1 1 39 39 LEU N N 39 123.362 123.362 121.394 1.968 18433 6038 1 14 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.352 -0.005 18433 6039 1 14 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.604 0.653 18433 6040 1 14 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.703 1.603 18433 6041 1 14 . 1 1 39 39 LEU H H 39 7.701 7.701 7.310 0.391 18433 6042 1 14 . 1 1 40 40 LEU N N 40 118.128 118.128 119.815 -1.687 18433 6043 1 14 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.122 0.253 18433 6044 1 14 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.274 0.037 18433 6045 1 14 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.405 1.383 18433 6046 1 14 . 1 1 40 40 LEU H H 40 8.434 8.434 7.859 0.575 18433 6047 1 14 . 1 1 41 41 LYS N N 41 117.838 117.838 119.276 -1.438 18433 6048 1 14 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.848 0.014 18433 6049 1 14 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.895 0.001 18433 6050 1 14 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.622 -0.926 18433 6051 1 14 . 1 1 41 41 LYS H H 41 8.571 8.571 8.415 0.156 18433 6052 1 14 . 1 1 42 42 GLU N N 42 122.248 122.248 117.030 5.218 18433 6053 1 14 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.219 -0.328 18433 6054 1 14 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.222 1.724 18433 6055 1 14 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.393 0.210 18433 6056 1 14 . 1 1 42 42 GLU H H 42 8.276 8.276 7.754 0.522 18433 6057 1 14 . 1 1 43 43 TRP N N 43 123.115 123.115 121.849 1.266 18433 6058 1 14 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.462 -1.437 18433 6059 1 14 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.616 -1.811 18433 6060 1 14 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.422 -0.770 18433 6061 1 14 . 1 1 43 43 TRP H H 43 8.318 8.318 8.051 0.267 18433 6062 1 14 . 1 1 44 44 ILE N N 44 112.941 112.941 113.918 -0.977 18433 6063 1 14 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.442 -0.903 18433 6064 1 14 . 1 1 44 44 ILE CA C 44 62.441 62.441 60.989 1.452 18433 6065 1 14 . 1 1 44 44 ILE CB C 44 38.393 38.393 37.925 0.468 18433 6066 1 14 . 1 1 44 44 ILE H H 44 7.567 7.567 7.430 0.137 18433 6067 1 14 . 1 1 45 45 THR N N 45 106.451 106.451 111.142 -4.691 18433 6068 1 14 . 1 1 45 45 THR HA H 45 4.080 4.080 4.236 -0.156 18433 6069 1 14 . 1 1 45 45 THR CA C 45 63.681 63.681 64.640 -0.959 18433 6070 1 14 . 1 1 45 45 THR CB C 45 70.147 70.147 69.564 0.583 18433 6071 1 14 . 1 1 45 45 THR H H 45 7.653 7.653 7.527 0.126 18433 6072 1 14 . 1 1 46 46 THR N N 46 110.600 110.600 116.435 -5.835 18433 6073 1 14 . 1 1 46 46 THR HA H 46 4.557 4.557 4.177 0.380 18433 6074 1 14 . 1 1 46 46 THR CA C 46 62.972 62.972 65.375 -2.403 18433 6075 1 14 . 1 1 46 46 THR CB C 46 71.039 71.039 69.365 1.674 18433 6076 1 14 . 1 1 46 46 THR H H 46 7.502 7.502 8.144 -0.642 18433 6077 1 14 . 1 1 47 47 ILE N N 47 124.370 124.370 121.130 3.240 18433 6078 1 14 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.356 0.117 18433 6079 1 14 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.318 -1.715 18433 6080 1 14 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.496 -3.995 18433 6081 1 14 . 1 1 47 47 ILE H H 47 7.533 7.533 7.369 0.164 18433 6082 1 14 . 1 1 48 48 SER N N 48 119.846 119.846 121.839 -1.993 18433 6083 1 14 . 1 1 48 48 SER HA H 48 4.498 4.498 4.633 -0.135 18433 6084 1 14 . 1 1 48 48 SER CA C 48 59.280 59.280 58.829 0.451 18433 6085 1 14 . 1 1 48 48 SER CB C 48 63.813 63.813 64.322 -0.509 18433 6086 1 14 . 1 1 48 48 SER H H 48 8.423 8.423 8.712 -0.289 18433 6087 1 14 . 1 1 49 49 ASP N N 49 119.475 119.475 121.249 -1.774 18433 6088 1 14 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.763 0.036 18433 6089 1 14 . 1 1 49 49 ASP CA C 49 50.804 50.804 50.892 -0.088 18433 6090 1 14 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.373 0.108 18433 6091 1 14 . 1 1 49 49 ASP H H 49 7.298 7.298 7.873 -0.575 18433 6092 1 14 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.498 -0.330 18433 6093 1 14 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.596 -0.684 18433 6094 1 14 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.923 -1.176 18433 6095 1 14 . 1 1 51 51 MET N N 51 121.983 121.983 120.660 1.323 18433 6096 1 14 . 1 1 51 51 MET HA H 51 4.492 4.492 4.602 -0.110 18433 6097 1 14 . 1 1 51 51 MET CA C 51 55.165 55.165 54.117 1.048 18433 6098 1 14 . 1 1 51 51 MET CB C 51 33.974 33.974 35.403 -1.429 18433 6099 1 14 . 1 1 51 51 MET H H 51 9.258 9.258 8.258 1.000 18433 6100 1 14 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.684 0.148 18433 6101 1 14 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.126 0.373 18433 6102 1 14 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.628 0.095 18433 6103 1 14 . 1 1 53 53 GLU N N 53 116.755 116.755 119.402 -2.647 18433 6104 1 14 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.150 -0.085 18433 6105 1 14 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.481 0.690 18433 6106 1 14 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.827 0.817 18433 6107 1 14 . 1 1 53 53 GLU H H 53 9.834 9.834 8.589 1.245 18433 6108 1 14 . 1 1 54 54 ASP N N 54 117.972 117.972 118.260 -0.288 18433 6109 1 14 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.333 0.665 18433 6110 1 14 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.566 0.495 18433 6111 1 14 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.688 1.578 18433 6112 1 14 . 1 1 54 54 ASP H H 54 7.348 7.348 8.382 -1.034 18433 6113 1 14 . 1 1 55 55 ILE N N 55 122.004 122.004 119.764 2.240 18433 6114 1 14 . 1 1 55 55 ILE HA H 55 3.935 3.935 4.056 -0.121 18433 6115 1 14 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.607 1.924 18433 6116 1 14 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.145 -0.006 18433 6117 1 14 . 1 1 55 55 ILE H H 55 8.081 8.081 8.175 -0.094 18433 6118 1 14 . 1 1 56 56 LEU N N 56 117.547 117.547 120.790 -3.243 18433 6119 1 14 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.169 -0.019 18433 6120 1 14 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.256 -0.321 18433 6121 1 14 . 1 1 56 56 LEU CB C 56 40.977 40.977 41.657 -0.680 18433 6122 1 14 . 1 1 56 56 LEU H H 56 8.770 8.770 8.012 0.758 18433 6123 1 14 . 1 1 57 57 GLN N N 57 119.917 119.917 116.969 2.948 18433 6124 1 14 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.021 0.045 18433 6125 1 14 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.870 1.501 18433 6126 1 14 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.320 -0.380 18433 6127 1 14 . 1 1 57 57 GLN H H 57 7.734 7.734 8.055 -0.321 18433 6128 1 14 . 1 1 58 58 VAL N N 58 122.347 122.347 118.614 3.733 18433 6129 1 14 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.819 -0.204 18433 6130 1 14 . 1 1 58 58 VAL CA C 58 67.230 67.230 64.705 2.525 18433 6131 1 14 . 1 1 58 58 VAL CB C 58 31.272 31.272 31.004 0.268 18433 6132 1 14 . 1 1 58 58 VAL H H 58 7.727 7.727 7.452 0.275 18433 6133 1 14 . 1 1 59 59 VAL N N 59 121.131 121.131 121.390 -0.259 18433 6134 1 14 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.594 -0.188 18433 6135 1 14 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.879 1.169 18433 6136 1 14 . 1 1 59 59 VAL CB C 59 31.542 31.542 31.357 0.185 18433 6137 1 14 . 1 1 59 59 VAL H H 59 8.341 8.341 7.650 0.691 18433 6138 1 14 . 1 1 60 60 ARG N N 60 120.942 120.942 118.122 2.820 18433 6139 1 14 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.136 -0.021 18433 6140 1 14 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.440 -0.027 18433 6141 1 14 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.551 0.190 18433 6142 1 14 . 1 1 60 60 ARG H H 60 8.457 8.457 7.876 0.581 18433 6143 1 14 . 1 1 61 61 TYR N N 61 120.718 120.718 121.713 -0.995 18433 6144 1 14 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.310 0.256 18433 6145 1 14 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.683 -0.929 18433 6146 1 14 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.721 -0.368 18433 6147 1 14 . 1 1 61 61 TYR H H 61 7.833 7.833 7.505 0.328 18433 6148 1 14 . 1 1 62 62 CYS N N 62 114.924 114.924 117.547 -2.623 18433 6149 1 14 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.995 -0.322 18433 6150 1 14 . 1 1 62 62 CYS CA C 62 64.281 64.281 62.391 1.890 18433 6151 1 14 . 1 1 62 62 CYS CB C 62 27.717 27.717 27.091 0.626 18433 6152 1 14 . 1 1 62 62 CYS H H 62 8.079 8.079 8.491 -0.412 18433 6153 1 14 . 1 1 63 63 THR N N 63 114.103 114.103 113.489 0.614 18433 6154 1 14 . 1 1 63 63 THR HA H 63 3.852 3.852 3.999 -0.147 18433 6155 1 14 . 1 1 63 63 THR CA C 63 66.871 66.871 66.341 0.530 18433 6156 1 14 . 1 1 63 63 THR CB C 63 67.762 67.762 68.186 -0.424 18433 6157 1 14 . 1 1 63 63 THR H H 63 8.721 8.721 8.479 0.242 18433 6158 1 14 . 1 1 64 64 ASP N N 64 126.664 126.664 122.061 4.603 18433 6159 1 14 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.544 -0.123 18433 6160 1 14 . 1 1 64 64 ASP CA C 64 57.784 57.784 57.084 0.700 18433 6161 1 14 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.148 -0.907 18433 6162 1 14 . 1 1 64 64 ASP H H 64 8.771 8.771 7.439 1.332 18433 6163 1 14 . 1 1 65 65 LEU N N 65 119.722 119.722 120.884 -1.162 18433 6164 1 14 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.943 -0.071 18433 6165 1 14 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.871 0.380 18433 6166 1 14 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.612 -0.122 18433 6167 1 14 . 1 1 65 65 LEU H H 65 7.850 7.850 7.244 0.606 18433 6168 1 14 . 1 1 66 66 ILE N N 66 119.189 119.189 119.228 -0.039 18433 6169 1 14 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.834 -0.436 18433 6170 1 14 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.838 0.360 18433 6171 1 14 . 1 1 66 66 ILE CB C 66 37.730 37.730 38.019 -0.289 18433 6172 1 14 . 1 1 66 66 ILE H H 66 7.636 7.636 7.418 0.218 18433 6173 1 14 . 1 1 67 67 GLU N N 67 123.166 123.166 118.232 4.934 18433 6174 1 14 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.058 -0.063 18433 6175 1 14 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.624 0.971 18433 6176 1 14 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.391 -0.208 18433 6177 1 14 . 1 1 67 67 GLU H H 67 8.512 8.512 7.861 0.651 18433 6178 1 14 . 1 1 68 68 GLU N N 68 116.524 116.524 117.110 -0.586 18433 6179 1 14 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.277 0.018 18433 6180 1 14 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.625 -0.847 18433 6181 1 14 . 1 1 68 68 GLU CB C 68 29.535 29.535 29.964 -0.429 18433 6182 1 14 . 1 1 68 68 GLU H H 68 7.633 7.633 8.111 -0.478 18433 6183 1 14 . 1 1 69 69 LYS N N 69 116.625 116.625 115.302 1.323 18433 6184 1 14 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.101 -0.456 18433 6185 1 14 . 1 1 69 69 LYS CA C 69 57.369 57.369 56.992 0.377 18433 6186 1 14 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.402 0.398 18433 6187 1 14 . 1 1 69 69 LYS H H 69 8.066 8.066 7.841 0.225 18433 6188 1 14 . 1 1 70 70 ASP N N 70 122.727 122.727 118.408 4.319 18433 6189 1 14 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.890 0.150 18433 6190 1 14 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.338 -1.942 18433 6191 1 14 . 1 1 70 70 ASP CB C 70 38.761 38.761 41.194 -2.433 18433 6192 1 14 . 1 1 70 70 ASP H H 70 8.483 8.483 8.518 -0.035 18433 6193 1 14 . 1 1 71 71 LEU N N 71 119.712 119.712 120.297 -0.585 18433 6194 1 14 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.820 0.061 18433 6195 1 14 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.796 -1.284 18433 6196 1 14 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.246 -0.999 18433 6197 1 14 . 1 1 71 71 LEU H H 71 7.515 7.515 8.243 -0.728 18433 6198 1 14 . 1 1 72 72 GLU N N 72 121.320 121.320 119.991 1.329 18433 6199 1 14 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.872 0.176 18433 6200 1 14 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.504 0.002 18433 6201 1 14 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.288 0.031 18433 6202 1 14 . 1 1 72 72 GLU H H 72 8.561 8.561 8.612 -0.051 18433 6203 1 14 . 1 1 73 73 LYS N N 73 119.338 119.338 118.077 1.261 18433 6204 1 14 . 1 1 73 73 LYS HA H 73 3.737 3.737 4.012 -0.275 18433 6205 1 14 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.385 1.123 18433 6206 1 14 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.319 0.050 18433 6207 1 14 . 1 1 73 73 LYS H H 73 7.448 7.448 7.626 -0.178 18433 6208 1 14 . 1 1 74 74 LEU N N 74 117.830 117.830 123.925 -6.095 18433 6209 1 14 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.045 -0.165 18433 6210 1 14 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.765 -0.823 18433 6211 1 14 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.836 -0.340 18433 6212 1 14 . 1 1 74 74 LEU H H 74 7.516 7.516 7.474 0.042 18433 6213 1 14 . 1 1 75 75 ASP N N 75 117.736 117.736 118.714 -0.978 18433 6214 1 14 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.422 -0.180 18433 6215 1 14 . 1 1 75 75 ASP CA C 75 57.852 57.852 57.379 0.473 18433 6216 1 14 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.665 1.658 18433 6217 1 14 . 1 1 75 75 ASP H H 75 7.828 7.828 7.989 -0.161 18433 6218 1 14 . 1 1 76 76 LEU N N 76 116.254 116.254 119.864 -3.610 18433 6219 1 14 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.162 -0.252 18433 6220 1 14 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.662 0.295 18433 6221 1 14 . 1 1 76 76 LEU CB C 76 41.827 41.827 42.008 -0.181 18433 6222 1 14 . 1 1 76 76 LEU H H 76 7.454 7.454 7.291 0.163 18433 6223 1 14 . 1 1 77 77 VAL N N 77 120.653 120.653 118.993 1.660 18433 6224 1 14 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.928 0.036 18433 6225 1 14 . 1 1 77 77 VAL CA C 77 66.879 66.879 65.791 1.088 18433 6226 1 14 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.063 0.956 18433 6227 1 14 . 1 1 77 77 VAL H H 77 8.626 8.626 8.513 0.113 18433 6228 1 14 . 1 1 78 78 ILE N N 78 122.189 122.189 120.898 1.291 18433 6229 1 14 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.971 0.015 18433 6230 1 14 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.659 -0.819 18433 6231 1 14 . 1 1 78 78 ILE CB C 78 35.672 35.672 37.055 -1.383 18433 6232 1 14 . 1 1 78 78 ILE H H 78 8.755 8.755 8.979 -0.224 18433 6233 1 14 . 1 1 79 79 LYS N N 79 119.030 119.030 120.206 -1.176 18433 6234 1 14 . 1 1 79 79 LYS HA H 79 3.881 3.881 4.006 -0.125 18433 6235 1 14 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.951 1.487 18433 6236 1 14 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.651 0.971 18433 6237 1 14 . 1 1 79 79 LYS H H 79 8.413 8.413 7.997 0.416 18433 6238 1 14 . 1 1 80 80 TYR N N 80 121.226 121.226 121.350 -0.124 18433 6239 1 14 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.273 0.035 18433 6240 1 14 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.290 0.714 18433 6241 1 14 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.438 -0.427 18433 6242 1 14 . 1 1 80 80 TYR H H 80 8.205 8.205 7.722 0.483 18433 6243 1 14 . 1 1 81 81 MET N N 81 116.428 116.428 117.840 -1.412 18433 6244 1 14 . 1 1 81 81 MET HA H 81 3.711 3.711 4.144 -0.433 18433 6245 1 14 . 1 1 81 81 MET CA C 81 60.733 60.733 58.977 1.756 18433 6246 1 14 . 1 1 81 81 MET CB C 81 33.894 33.894 32.966 0.928 18433 6247 1 14 . 1 1 81 81 MET H H 81 8.578 8.578 8.607 -0.029 18433 6248 1 14 . 1 1 82 82 LYS N N 82 119.778 119.778 119.017 0.761 18433 6249 1 14 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.323 -0.630 18433 6250 1 14 . 1 1 82 82 LYS CA C 82 59.983 59.983 58.550 1.433 18433 6251 1 14 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.009 1.782 18433 6252 1 14 . 1 1 82 82 LYS H H 82 8.594 8.594 8.413 0.181 18433 6253 1 14 . 1 1 83 83 ARG N N 83 116.474 116.474 119.394 -2.920 18433 6254 1 14 . 1 1 83 83 ARG HA H 83 3.854 3.854 4.046 -0.192 18433 6255 1 14 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.472 0.009 18433 6256 1 14 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.677 -0.075 18433 6257 1 14 . 1 1 83 83 ARG H H 83 7.145 7.145 7.336 -0.191 18433 6258 1 14 . 1 1 84 84 LEU N N 84 116.576 116.576 120.830 -4.254 18433 6259 1 14 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.897 -0.069 18433 6260 1 14 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.031 -0.097 18433 6261 1 14 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.942 1.097 18433 6262 1 14 . 1 1 84 84 LEU H H 84 7.284 7.284 7.050 0.234 18433 6263 1 14 . 1 1 85 85 MET N N 85 115.841 115.841 115.490 0.351 18433 6264 1 14 . 1 1 85 85 MET HA H 85 3.756 3.756 3.596 0.160 18433 6265 1 14 . 1 1 85 85 MET CA C 85 59.260 59.260 58.998 0.262 18433 6266 1 14 . 1 1 85 85 MET CB C 85 32.487 32.487 32.116 0.371 18433 6267 1 14 . 1 1 85 85 MET H H 85 8.683 8.683 7.841 0.842 18433 6268 1 14 . 1 1 86 86 GLN N N 86 114.640 114.640 115.770 -1.130 18433 6269 1 14 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.119 0.242 18433 6270 1 14 . 1 1 86 86 GLN CA C 86 56.857 56.857 58.048 -1.191 18433 6271 1 14 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.121 -1.491 18433 6272 1 14 . 1 1 86 86 GLN H H 86 7.513 7.513 7.448 0.065 18433 6273 1 14 . 1 1 87 87 GLN N N 87 117.352 117.352 116.914 0.438 18433 6274 1 14 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.314 -0.092 18433 6275 1 14 . 1 1 87 87 GLN CA C 87 56.334 56.334 55.659 0.675 18433 6276 1 14 . 1 1 87 87 GLN CB C 87 29.139 29.139 29.075 0.064 18433 6277 1 14 . 1 1 87 87 GLN H H 87 7.277 7.277 7.416 -0.139 18433 6278 1 14 . 1 1 88 88 SER N N 88 113.778 113.778 116.786 -3.008 18433 6279 1 14 . 1 1 88 88 SER HA H 88 4.431 4.431 4.366 0.065 18433 6280 1 14 . 1 1 88 88 SER CA C 88 58.372 58.372 58.569 -0.197 18433 6281 1 14 . 1 1 88 88 SER CB C 88 63.525 63.525 64.287 -0.762 18433 6282 1 14 . 1 1 88 88 SER H H 88 7.482 7.482 7.429 0.053 18433 6283 1 14 . 1 1 89 89 VAL N N 89 120.934 120.934 118.466 2.468 18433 6284 1 14 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.220 -0.057 18433 6285 1 14 . 1 1 89 89 VAL CA C 89 62.661 62.661 63.443 -0.782 18433 6286 1 14 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.583 -0.611 18433 6287 1 14 . 1 1 89 89 VAL H H 89 8.188 8.188 8.509 -0.321 18433 6288 1 14 . 1 1 90 90 GLU N N 90 120.714 120.714 120.766 -0.052 18433 6289 1 14 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.511 -0.070 18433 6290 1 14 . 1 1 90 90 GLU CA C 90 55.945 55.945 55.547 0.398 18433 6291 1 14 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.899 -0.292 18433 6292 1 14 . 1 1 90 90 GLU H H 90 8.411 8.411 8.151 0.260 18433 6293 1 14 . 1 1 91 91 SER HA H 91 4.451 4.451 4.437 0.014 18433 6294 1 14 . 1 1 91 91 SER CA C 91 59.681 59.681 61.439 -1.758 18433 6295 1 14 . 1 1 91 91 SER CB C 91 63.893 63.893 63.103 0.790 18433 6296 1 14 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.701 0.311 18433 6297 1 14 . 1 1 92 92 VAL CA C 92 64.738 64.738 65.441 -0.703 18433 6298 1 14 . 1 1 92 92 VAL CB C 92 31.013 31.013 31.322 -0.309 18433 6299 1 14 . 1 1 93 93 TRP N N 93 121.614 121.614 119.207 2.407 18433 6300 1 14 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.271 0.228 18433 6301 1 14 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.863 -1.187 18433 6302 1 14 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.248 0.609 18433 6303 1 14 . 1 1 93 93 TRP H H 93 7.551 7.551 8.084 -0.533 18433 6304 1 14 . 1 1 94 94 ASN N N 94 119.013 119.013 116.989 2.024 18433 6305 1 14 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.412 -0.017 18433 6306 1 14 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.567 0.671 18433 6307 1 14 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.263 0.484 18433 6308 1 14 . 1 1 94 94 ASN H H 94 7.794 7.794 8.087 -0.293 18433 6309 1 14 . 1 1 95 95 MET N N 95 117.158 117.158 118.383 -1.225 18433 6310 1 14 . 1 1 95 95 MET HA H 95 4.346 4.346 4.351 -0.005 18433 6311 1 14 . 1 1 95 95 MET CA C 95 58.445 58.445 58.488 -0.043 18433 6312 1 14 . 1 1 95 95 MET CB C 95 32.436 32.436 32.443 -0.007 18433 6313 1 14 . 1 1 95 95 MET H H 95 7.751 7.751 7.532 0.219 18433 6314 1 14 . 1 1 96 96 ALA N N 96 123.406 123.406 123.307 0.099 18433 6315 1 14 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.147 0.060 18433 6316 1 14 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.292 0.153 18433 6317 1 14 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.138 -0.633 18433 6318 1 14 . 1 1 96 96 ALA H H 96 7.920 7.920 7.792 0.128 18433 6319 1 14 . 1 1 97 97 PHE N N 97 117.830 117.830 119.397 -1.567 18433 6320 1 14 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.351 -0.147 18433 6321 1 14 . 1 1 97 97 PHE CA C 97 62.853 62.853 60.368 2.485 18433 6322 1 14 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.055 -0.908 18433 6323 1 14 . 1 1 97 97 PHE H H 97 8.431 8.431 8.107 0.324 18433 6324 1 14 . 1 1 98 98 ASP N N 98 118.570 118.570 119.926 -1.356 18433 6325 1 14 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.044 0.204 18433 6326 1 14 . 1 1 98 98 ASP CA C 98 57.702 57.702 56.893 0.809 18433 6327 1 14 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.581 -0.181 18433 6328 1 14 . 1 1 98 98 ASP H H 98 7.805 7.805 7.840 -0.035 18433 6329 1 14 . 1 1 99 99 PHE N N 99 119.874 119.874 120.535 -0.661 18433 6330 1 14 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.137 0.157 18433 6331 1 14 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.518 -0.335 18433 6332 1 14 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.227 0.255 18433 6333 1 14 . 1 1 99 99 PHE H H 99 7.920 7.920 8.048 -0.128 18433 6334 1 14 . 1 1 100 100 ILE N N 100 122.589 122.589 119.456 3.133 18433 6335 1 14 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.429 -0.026 18433 6336 1 14 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.659 0.438 18433 6337 1 14 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.987 0.705 18433 6338 1 14 . 1 1 100 100 ILE H H 100 8.573 8.573 7.635 0.938 18433 6339 1 14 . 1 1 101 101 LEU N N 101 119.531 119.531 120.277 -0.746 18433 6340 1 14 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.720 -0.006 18433 6341 1 14 . 1 1 101 101 LEU CA C 101 57.998 57.998 58.249 -0.251 18433 6342 1 14 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.145 -0.438 18433 6343 1 14 . 1 1 101 101 LEU H H 101 8.716 8.716 7.687 1.029 18433 6344 1 14 . 1 1 102 102 ASP N N 102 118.371 118.371 117.976 0.395 18433 6345 1 14 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.315 -0.064 18433 6346 1 14 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.800 0.693 18433 6347 1 14 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.743 0.036 18433 6348 1 14 . 1 1 102 102 ASP H H 102 8.343 8.343 8.456 -0.113 18433 6349 1 14 . 1 1 103 103 ASN N N 103 115.409 115.409 116.590 -1.181 18433 6350 1 14 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.644 -0.511 18433 6351 1 14 . 1 1 103 103 ASN CA C 103 57.079 57.079 54.930 2.149 18433 6352 1 14 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.617 -0.627 18433 6353 1 14 . 1 1 103 103 ASN H H 103 7.393 7.393 7.455 -0.062 18433 6354 1 14 . 1 1 104 104 VAL N N 104 119.972 119.972 121.929 -1.957 18433 6355 1 14 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.742 -0.325 18433 6356 1 14 . 1 1 104 104 VAL CA C 104 66.949 66.949 66.890 0.059 18433 6357 1 14 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.358 0.465 18433 6358 1 14 . 1 1 104 104 VAL H H 104 8.299 8.299 8.665 -0.366 18433 6359 1 14 . 1 1 105 105 GLN N N 105 118.449 118.449 118.069 0.380 18433 6360 1 14 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.993 0.401 18433 6361 1 14 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.800 0.220 18433 6362 1 14 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.827 0.763 18433 6363 1 14 . 1 1 105 105 GLN H H 105 8.763 8.763 8.120 0.643 18433 6364 1 14 . 1 1 106 106 VAL N N 106 118.643 118.643 119.888 -1.245 18433 6365 1 14 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.729 -0.015 18433 6366 1 14 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.261 0.147 18433 6367 1 14 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.777 -0.080 18433 6368 1 14 . 1 1 106 106 VAL H H 106 7.607 7.607 7.553 0.054 18433 6369 1 14 . 1 1 107 107 VAL N N 107 120.205 120.205 119.887 0.318 18433 6370 1 14 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.759 -0.030 18433 6371 1 14 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.630 0.743 18433 6372 1 14 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.790 -0.472 18433 6373 1 14 . 1 1 107 107 VAL H H 107 7.329 7.329 7.396 -0.067 18433 6374 1 14 . 1 1 108 108 LEU N N 108 123.706 123.706 118.817 4.889 18433 6375 1 14 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.274 -0.251 18433 6376 1 14 . 1 1 108 108 LEU CA C 108 58.902 58.902 57.890 1.012 18433 6377 1 14 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.559 0.416 18433 6378 1 14 . 1 1 108 108 LEU H H 108 8.742 8.742 8.419 0.323 18433 6379 1 14 . 1 1 109 109 GLN N N 109 119.622 119.622 118.985 0.637 18433 6380 1 14 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.139 -0.158 18433 6381 1 14 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.833 0.233 18433 6382 1 14 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.763 -0.496 18433 6383 1 14 . 1 1 109 109 GLN H H 109 8.456 8.456 7.895 0.561 18433 6384 1 14 . 1 1 110 110 GLN N N 110 117.492 117.492 117.158 0.334 18433 6385 1 14 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.082 -0.008 18433 6386 1 14 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.215 -0.139 18433 6387 1 14 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.605 0.087 18433 6388 1 14 . 1 1 110 110 GLN H H 110 8.060 8.060 7.835 0.225 18433 6389 1 14 . 1 1 111 111 THR N N 111 112.944 112.944 113.456 -0.512 18433 6390 1 14 . 1 1 111 111 THR HA H 111 4.017 4.017 4.051 -0.034 18433 6391 1 14 . 1 1 111 111 THR CA C 111 65.020 65.020 64.507 0.513 18433 6392 1 14 . 1 1 111 111 THR CB C 111 69.543 69.543 69.643 -0.100 18433 6393 1 14 . 1 1 111 111 THR H H 111 7.934 7.934 7.409 0.525 18433 6394 1 14 . 1 1 112 112 TYR N N 112 118.273 118.273 117.992 0.281 18433 6395 1 14 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.591 0.106 18433 6396 1 14 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.993 -0.573 18433 6397 1 14 . 1 1 112 112 TYR CB C 112 40.341 40.341 39.561 0.780 18433 6398 1 14 . 1 1 112 112 TYR H H 112 8.404 8.404 8.391 0.013 18433 6399 1 14 . 1 1 113 113 GLY N N 113 109.593 109.593 105.417 4.176 18433 6400 1 14 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.098 0.911 18433 6401 1 14 . 1 1 113 113 GLY H H 113 7.990 7.990 7.850 0.140 18433 6402 1 14 . 1 1 114 114 SER N N 114 113.965 113.965 115.154 -1.189 18433 6403 1 14 . 1 1 114 114 SER HA H 114 4.630 4.630 4.642 -0.012 18433 6404 1 14 . 1 1 114 114 SER CA C 114 57.356 57.356 56.973 0.383 18433 6405 1 14 . 1 1 114 114 SER CB C 114 64.543 64.543 63.837 0.706 18433 6406 1 14 . 1 1 114 114 SER H H 114 7.636 7.636 8.032 -0.396 18433 6407 1 14 . 1 1 115 115 THR N N 115 110.456 110.456 110.084 0.372 18433 6408 1 14 . 1 1 115 115 THR HA H 115 4.406 4.406 4.628 -0.222 18433 6409 1 14 . 1 1 115 115 THR CA C 115 61.125 61.125 60.469 0.656 18433 6410 1 14 . 1 1 115 115 THR CB C 115 70.288 70.288 71.045 -0.757 18433 6411 1 14 . 1 1 115 115 THR H H 115 7.828 7.828 7.926 -0.098 18433 6412 1 14 . 1 1 116 116 LEU N N 116 123.832 123.832 121.431 2.401 18433 6413 1 14 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.545 -0.239 18433 6414 1 14 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.215 0.667 18433 6415 1 14 . 1 1 116 116 LEU CB C 116 42.795 42.795 44.137 -1.342 18433 6416 1 14 . 1 1 116 116 LEU H H 116 8.741 8.741 8.515 0.226 18433 6417 1 14 . 1 1 117 117 LYS N N 117 124.713 124.713 124.668 0.045 18433 6418 1 14 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.457 -0.044 18433 6419 1 14 . 1 1 117 117 LYS CA C 117 55.551 55.551 55.731 -0.180 18433 6420 1 14 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.927 0.623 18433 6421 1 14 . 1 1 117 117 LYS H H 117 8.479 8.479 8.523 -0.044 18433 6422 1 14 . 1 1 118 118 VAL N N 118 122.419 122.419 123.829 -1.410 18433 6423 1 14 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.672 -0.430 18433 6424 1 14 . 1 1 118 118 VAL CA C 118 61.955 61.955 60.257 1.698 18433 6425 1 14 . 1 1 118 118 VAL CB C 118 32.837 32.837 31.479 1.358 18433 6426 1 14 . 1 1 118 118 VAL H H 118 8.268 8.268 8.494 -0.226 18433 6427 1 15 . 1 1 24 24 ALA N N 24 123.308 123.308 123.722 -0.414 18433 6428 1 15 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.859 -0.315 18433 6429 1 15 . 1 1 24 24 ALA CA C 24 50.311 50.311 50.423 -0.112 18433 6430 1 15 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.538 -0.941 18433 6431 1 15 . 1 1 24 24 ALA H H 24 7.820 7.820 8.239 -0.419 18433 6432 1 15 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.393 0.245 18433 6433 1 15 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.883 0.368 18433 6434 1 15 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.031 1.831 18433 6435 1 15 . 1 1 26 26 ASN N N 26 120.016 120.016 118.980 1.036 18433 6436 1 15 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.476 -0.249 18433 6437 1 15 . 1 1 26 26 ASN CA C 26 52.623 52.623 51.978 0.645 18433 6438 1 15 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.402 1.737 18433 6439 1 15 . 1 1 26 26 ASN H H 26 9.079 9.079 8.131 0.948 18433 6440 1 15 . 1 1 27 27 LEU N N 27 123.375 123.375 122.589 0.786 18433 6441 1 15 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.402 -0.165 18433 6442 1 15 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.338 -1.035 18433 6443 1 15 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.825 -0.008 18433 6444 1 15 . 1 1 27 27 LEU H H 27 8.098 8.098 8.396 -0.298 18433 6445 1 15 . 1 1 28 28 ALA N N 28 126.889 126.889 129.931 -3.042 18433 6446 1 15 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.921 -0.247 18433 6447 1 15 . 1 1 28 28 ALA CA C 28 52.381 52.381 53.164 -0.783 18433 6448 1 15 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.372 1.557 18433 6449 1 15 . 1 1 28 28 ALA H H 28 9.215 9.215 8.825 0.390 18433 6450 1 15 . 1 1 29 29 GLY N N 29 102.532 102.532 102.137 0.395 18433 6451 1 15 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.667 0.171 18433 6452 1 15 . 1 1 29 29 GLY H H 29 7.943 7.943 8.462 -0.519 18433 6453 1 15 . 1 1 30 30 ALA N N 30 125.002 125.002 122.247 2.755 18433 6454 1 15 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.689 -0.438 18433 6455 1 15 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.632 1.516 18433 6456 1 15 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.245 -0.811 18433 6457 1 15 . 1 1 30 30 ALA H H 30 8.040 8.040 7.680 0.360 18433 6458 1 15 . 1 1 31 31 VAL N N 31 119.492 119.492 124.602 -5.110 18433 6459 1 15 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.090 0.178 18433 6460 1 15 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.948 -1.551 18433 6461 1 15 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.442 2.516 18433 6462 1 15 . 1 1 31 31 VAL H H 31 8.415 8.415 8.586 -0.171 18433 6463 1 15 . 1 1 32 32 GLU N N 32 122.142 122.142 118.856 3.286 18433 6464 1 15 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.319 -0.045 18433 6465 1 15 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.653 -0.457 18433 6466 1 15 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.523 -1.184 18433 6467 1 15 . 1 1 32 32 GLU H H 32 8.757 8.757 7.970 0.787 18433 6468 1 15 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.244 0.011 18433 6469 1 15 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.922 -0.587 18433 6470 1 15 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.564 -0.920 18433 6471 1 15 . 1 1 34 34 SER N N 34 112.028 112.028 114.325 -2.297 18433 6472 1 15 . 1 1 34 34 SER HA H 34 3.652 3.652 3.675 -0.023 18433 6473 1 15 . 1 1 34 34 SER CA C 34 61.642 61.642 61.531 0.111 18433 6474 1 15 . 1 1 34 34 SER CB C 34 61.807 61.807 62.277 -0.470 18433 6475 1 15 . 1 1 34 34 SER H H 34 8.902 8.902 8.610 0.292 18433 6476 1 15 . 1 1 35 35 ASP N N 35 121.321 121.321 119.925 1.396 18433 6477 1 15 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.429 0.069 18433 6478 1 15 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.746 -0.186 18433 6479 1 15 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.155 1.072 18433 6480 1 15 . 1 1 35 35 ASP H H 35 6.930 6.930 8.413 -1.483 18433 6481 1 15 . 1 1 36 36 VAL N N 36 123.532 123.532 119.747 3.785 18433 6482 1 15 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.564 -0.316 18433 6483 1 15 . 1 1 36 36 VAL CA C 36 67.358 67.358 64.985 2.373 18433 6484 1 15 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.380 0.712 18433 6485 1 15 . 1 1 36 36 VAL H H 36 8.014 8.014 7.531 0.483 18433 6486 1 15 . 1 1 37 37 LYS N N 37 118.036 118.036 118.125 -0.089 18433 6487 1 15 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.569 -0.102 18433 6488 1 15 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.400 0.849 18433 6489 1 15 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.427 0.882 18433 6490 1 15 . 1 1 37 37 LYS H H 37 8.384 8.384 7.789 0.595 18433 6491 1 15 . 1 1 38 38 THR N N 38 115.765 115.765 116.968 -1.203 18433 6492 1 15 . 1 1 38 38 THR HA H 38 3.872 3.872 4.046 -0.174 18433 6493 1 15 . 1 1 38 38 THR CA C 38 66.652 66.652 66.173 0.479 18433 6494 1 15 . 1 1 38 38 THR CB C 38 68.664 68.664 68.721 -0.057 18433 6495 1 15 . 1 1 38 38 THR H H 38 7.344 7.344 7.327 0.017 18433 6496 1 15 . 1 1 39 39 LEU N N 39 123.362 123.362 121.572 1.790 18433 6497 1 15 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.332 0.015 18433 6498 1 15 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.665 0.592 18433 6499 1 15 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.712 1.594 18433 6500 1 15 . 1 1 39 39 LEU H H 39 7.701 7.701 7.323 0.378 18433 6501 1 15 . 1 1 40 40 LEU N N 40 118.128 118.128 119.887 -1.759 18433 6502 1 15 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.130 0.245 18433 6503 1 15 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.238 0.073 18433 6504 1 15 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.424 1.364 18433 6505 1 15 . 1 1 40 40 LEU H H 40 8.434 8.434 7.884 0.550 18433 6506 1 15 . 1 1 41 41 LYS N N 41 117.838 117.838 119.211 -1.373 18433 6507 1 15 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.859 0.003 18433 6508 1 15 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.872 0.024 18433 6509 1 15 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.627 -0.931 18433 6510 1 15 . 1 1 41 41 LYS H H 41 8.571 8.571 8.366 0.205 18433 6511 1 15 . 1 1 42 42 GLU N N 42 122.248 122.248 116.952 5.296 18433 6512 1 15 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.224 -0.333 18433 6513 1 15 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.199 1.747 18433 6514 1 15 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.445 0.158 18433 6515 1 15 . 1 1 42 42 GLU H H 42 8.276 8.276 7.759 0.517 18433 6516 1 15 . 1 1 43 43 TRP N N 43 123.115 123.115 121.879 1.236 18433 6517 1 15 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.461 -1.436 18433 6518 1 15 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.604 -1.799 18433 6519 1 15 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.434 -0.782 18433 6520 1 15 . 1 1 43 43 TRP H H 43 8.318 8.318 7.979 0.339 18433 6521 1 15 . 1 1 44 44 ILE N N 44 112.941 112.941 114.083 -1.142 18433 6522 1 15 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.468 -0.929 18433 6523 1 15 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.085 1.356 18433 6524 1 15 . 1 1 44 44 ILE CB C 44 38.393 38.393 38.275 0.118 18433 6525 1 15 . 1 1 44 44 ILE H H 44 7.567 7.567 7.495 0.072 18433 6526 1 15 . 1 1 45 45 THR N N 45 106.451 106.451 113.406 -6.955 18433 6527 1 15 . 1 1 45 45 THR HA H 45 4.080 4.080 4.305 -0.225 18433 6528 1 15 . 1 1 45 45 THR CA C 45 63.681 63.681 64.178 -0.497 18433 6529 1 15 . 1 1 45 45 THR CB C 45 70.147 70.147 69.432 0.715 18433 6530 1 15 . 1 1 45 45 THR H H 45 7.653 7.653 7.644 0.009 18433 6531 1 15 . 1 1 46 46 THR N N 46 110.600 110.600 117.003 -6.403 18433 6532 1 15 . 1 1 46 46 THR HA H 46 4.557 4.557 4.275 0.282 18433 6533 1 15 . 1 1 46 46 THR CA C 46 62.972 62.972 64.606 -1.634 18433 6534 1 15 . 1 1 46 46 THR CB C 46 71.039 71.039 69.388 1.651 18433 6535 1 15 . 1 1 46 46 THR H H 46 7.502 7.502 8.260 -0.758 18433 6536 1 15 . 1 1 47 47 ILE N N 47 124.370 124.370 120.767 3.603 18433 6537 1 15 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.364 0.109 18433 6538 1 15 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.825 -2.222 18433 6539 1 15 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.346 -3.845 18433 6540 1 15 . 1 1 47 47 ILE H H 47 7.533 7.533 7.412 0.121 18433 6541 1 15 . 1 1 48 48 SER N N 48 119.846 119.846 121.270 -1.424 18433 6542 1 15 . 1 1 48 48 SER HA H 48 4.498 4.498 4.709 -0.211 18433 6543 1 15 . 1 1 48 48 SER CA C 48 59.280 59.280 58.572 0.708 18433 6544 1 15 . 1 1 48 48 SER CB C 48 63.813 63.813 64.438 -0.625 18433 6545 1 15 . 1 1 48 48 SER H H 48 8.423 8.423 8.735 -0.312 18433 6546 1 15 . 1 1 49 49 ASP N N 49 119.475 119.475 122.910 -3.435 18433 6547 1 15 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.790 0.009 18433 6548 1 15 . 1 1 49 49 ASP CA C 49 50.804 50.804 52.170 -1.366 18433 6549 1 15 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.012 0.469 18433 6550 1 15 . 1 1 49 49 ASP H H 49 7.298 7.298 8.137 -0.839 18433 6551 1 15 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.523 -0.355 18433 6552 1 15 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.599 -0.687 18433 6553 1 15 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.724 -0.977 18433 6554 1 15 . 1 1 51 51 MET N N 51 121.983 121.983 121.200 0.783 18433 6555 1 15 . 1 1 51 51 MET HA H 51 4.492 4.492 4.579 -0.087 18433 6556 1 15 . 1 1 51 51 MET CA C 51 55.165 55.165 54.598 0.567 18433 6557 1 15 . 1 1 51 51 MET CB C 51 33.974 33.974 34.880 -0.906 18433 6558 1 15 . 1 1 51 51 MET H H 51 9.258 9.258 8.503 0.755 18433 6559 1 15 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.740 0.092 18433 6560 1 15 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.136 0.362 18433 6561 1 15 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.246 0.477 18433 6562 1 15 . 1 1 53 53 GLU N N 53 116.755 116.755 118.756 -2.001 18433 6563 1 15 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.158 -0.093 18433 6564 1 15 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.376 0.795 18433 6565 1 15 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.785 0.859 18433 6566 1 15 . 1 1 53 53 GLU H H 53 9.834 9.834 8.658 1.176 18433 6567 1 15 . 1 1 54 54 ASP N N 54 117.972 117.972 119.877 -1.905 18433 6568 1 15 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.361 0.637 18433 6569 1 15 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.324 0.737 18433 6570 1 15 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.593 1.673 18433 6571 1 15 . 1 1 54 54 ASP H H 54 7.348 7.348 8.356 -1.008 18433 6572 1 15 . 1 1 55 55 ILE N N 55 122.004 122.004 119.602 2.402 18433 6573 1 15 . 1 1 55 55 ILE HA H 55 3.935 3.935 4.024 -0.089 18433 6574 1 15 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.590 1.941 18433 6575 1 15 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.053 0.086 18433 6576 1 15 . 1 1 55 55 ILE H H 55 8.081 8.081 8.177 -0.096 18433 6577 1 15 . 1 1 56 56 LEU N N 56 117.547 117.547 120.715 -3.168 18433 6578 1 15 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.142 0.008 18433 6579 1 15 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.102 -0.167 18433 6580 1 15 . 1 1 56 56 LEU CB C 56 40.977 40.977 41.595 -0.618 18433 6581 1 15 . 1 1 56 56 LEU H H 56 8.770 8.770 7.526 1.244 18433 6582 1 15 . 1 1 57 57 GLN N N 57 119.917 119.917 117.473 2.444 18433 6583 1 15 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.040 0.026 18433 6584 1 15 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.935 1.436 18433 6585 1 15 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.240 -0.300 18433 6586 1 15 . 1 1 57 57 GLN H H 57 7.734 7.734 7.911 -0.177 18433 6587 1 15 . 1 1 58 58 VAL N N 58 122.347 122.347 118.266 4.081 18433 6588 1 15 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.811 -0.196 18433 6589 1 15 . 1 1 58 58 VAL CA C 58 67.230 67.230 65.675 1.555 18433 6590 1 15 . 1 1 58 58 VAL CB C 58 31.272 31.272 31.419 -0.147 18433 6591 1 15 . 1 1 58 58 VAL H H 58 7.727 7.727 7.449 0.278 18433 6592 1 15 . 1 1 59 59 VAL N N 59 121.131 121.131 121.393 -0.262 18433 6593 1 15 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.650 -0.244 18433 6594 1 15 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.848 1.200 18433 6595 1 15 . 1 1 59 59 VAL CB C 59 31.542 31.542 31.486 0.056 18433 6596 1 15 . 1 1 59 59 VAL H H 59 8.341 8.341 7.718 0.623 18433 6597 1 15 . 1 1 60 60 ARG N N 60 120.942 120.942 118.180 2.762 18433 6598 1 15 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.153 -0.038 18433 6599 1 15 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.314 0.099 18433 6600 1 15 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.485 0.256 18433 6601 1 15 . 1 1 60 60 ARG H H 60 8.457 8.457 7.962 0.495 18433 6602 1 15 . 1 1 61 61 TYR N N 61 120.718 120.718 121.624 -0.906 18433 6603 1 15 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.318 0.248 18433 6604 1 15 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.511 -0.757 18433 6605 1 15 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.797 -0.444 18433 6606 1 15 . 1 1 61 61 TYR H H 61 7.833 7.833 7.520 0.313 18433 6607 1 15 . 1 1 62 62 CYS N N 62 114.924 114.924 117.664 -2.740 18433 6608 1 15 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.969 -0.296 18433 6609 1 15 . 1 1 62 62 CYS CA C 62 64.281 64.281 62.749 1.532 18433 6610 1 15 . 1 1 62 62 CYS CB C 62 27.717 27.717 27.394 0.323 18433 6611 1 15 . 1 1 62 62 CYS H H 62 8.079 8.079 8.348 -0.269 18433 6612 1 15 . 1 1 63 63 THR N N 63 114.103 114.103 113.032 1.071 18433 6613 1 15 . 1 1 63 63 THR HA H 63 3.852 3.852 3.971 -0.119 18433 6614 1 15 . 1 1 63 63 THR CA C 63 66.871 66.871 66.223 0.648 18433 6615 1 15 . 1 1 63 63 THR CB C 63 67.762 67.762 68.093 -0.331 18433 6616 1 15 . 1 1 63 63 THR H H 63 8.721 8.721 8.523 0.198 18433 6617 1 15 . 1 1 64 64 ASP N N 64 126.664 126.664 121.915 4.749 18433 6618 1 15 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.566 -0.145 18433 6619 1 15 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.505 1.280 18433 6620 1 15 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.290 -1.049 18433 6621 1 15 . 1 1 64 64 ASP H H 64 8.771 8.771 7.542 1.229 18433 6622 1 15 . 1 1 65 65 LEU N N 65 119.722 119.722 120.958 -1.236 18433 6623 1 15 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.944 -0.072 18433 6624 1 15 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.831 0.419 18433 6625 1 15 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.623 -0.133 18433 6626 1 15 . 1 1 65 65 LEU H H 65 7.850 7.850 7.460 0.390 18433 6627 1 15 . 1 1 66 66 ILE N N 66 119.189 119.189 119.054 0.135 18433 6628 1 15 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.843 -0.445 18433 6629 1 15 . 1 1 66 66 ILE CA C 66 66.198 66.198 66.114 0.084 18433 6630 1 15 . 1 1 66 66 ILE CB C 66 37.730 37.730 37.853 -0.123 18433 6631 1 15 . 1 1 66 66 ILE H H 66 7.636 7.636 7.497 0.139 18433 6632 1 15 . 1 1 67 67 GLU N N 67 123.166 123.166 117.952 5.214 18433 6633 1 15 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.099 -0.104 18433 6634 1 15 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.424 1.171 18433 6635 1 15 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.366 -0.183 18433 6636 1 15 . 1 1 67 67 GLU H H 67 8.512 8.512 7.611 0.901 18433 6637 1 15 . 1 1 68 68 GLU N N 68 116.524 116.524 116.564 -0.040 18433 6638 1 15 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.302 -0.007 18433 6639 1 15 . 1 1 68 68 GLU CA C 68 55.778 55.778 55.960 -0.182 18433 6640 1 15 . 1 1 68 68 GLU CB C 68 29.535 29.535 30.022 -0.487 18433 6641 1 15 . 1 1 68 68 GLU H H 68 7.633 7.633 8.217 -0.584 18433 6642 1 15 . 1 1 69 69 LYS N N 69 116.625 116.625 114.995 1.630 18433 6643 1 15 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.103 -0.458 18433 6644 1 15 . 1 1 69 69 LYS CA C 69 57.369 57.369 56.861 0.508 18433 6645 1 15 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.330 0.470 18433 6646 1 15 . 1 1 69 69 LYS H H 69 8.066 8.066 7.849 0.217 18433 6647 1 15 . 1 1 70 70 ASP N N 70 122.727 122.727 118.732 3.995 18433 6648 1 15 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.873 0.167 18433 6649 1 15 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.603 -2.207 18433 6650 1 15 . 1 1 70 70 ASP CB C 70 38.761 38.761 41.062 -2.301 18433 6651 1 15 . 1 1 70 70 ASP H H 70 8.483 8.483 8.524 -0.042 18433 6652 1 15 . 1 1 71 71 LEU N N 71 119.712 119.712 120.297 -0.585 18433 6653 1 15 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.808 0.073 18433 6654 1 15 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.741 -1.229 18433 6655 1 15 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.231 -0.984 18433 6656 1 15 . 1 1 71 71 LEU H H 71 7.515 7.515 8.224 -0.709 18433 6657 1 15 . 1 1 72 72 GLU N N 72 121.320 121.320 119.943 1.377 18433 6658 1 15 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.859 0.189 18433 6659 1 15 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.498 0.008 18433 6660 1 15 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.256 0.063 18433 6661 1 15 . 1 1 72 72 GLU H H 72 8.561 8.561 8.590 -0.029 18433 6662 1 15 . 1 1 73 73 LYS N N 73 119.338 119.338 118.066 1.272 18433 6663 1 15 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.961 -0.224 18433 6664 1 15 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.384 1.124 18433 6665 1 15 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.268 0.101 18433 6666 1 15 . 1 1 73 73 LYS H H 73 7.448 7.448 7.616 -0.168 18433 6667 1 15 . 1 1 74 74 LEU N N 74 117.830 117.830 123.500 -5.670 18433 6668 1 15 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.085 -0.205 18433 6669 1 15 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.497 -0.555 18433 6670 1 15 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.756 -0.260 18433 6671 1 15 . 1 1 74 74 LEU H H 74 7.516 7.516 7.459 0.057 18433 6672 1 15 . 1 1 75 75 ASP N N 75 117.736 117.736 119.179 -1.443 18433 6673 1 15 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.441 -0.199 18433 6674 1 15 . 1 1 75 75 ASP CA C 75 57.852 57.852 58.233 -0.381 18433 6675 1 15 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.461 1.862 18433 6676 1 15 . 1 1 75 75 ASP H H 75 7.828 7.828 8.085 -0.257 18433 6677 1 15 . 1 1 76 76 LEU N N 76 116.254 116.254 120.176 -3.922 18433 6678 1 15 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.187 -0.277 18433 6679 1 15 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.775 0.182 18433 6680 1 15 . 1 1 76 76 LEU CB C 76 41.827 41.827 41.875 -0.048 18433 6681 1 15 . 1 1 76 76 LEU H H 76 7.454 7.454 7.269 0.185 18433 6682 1 15 . 1 1 77 77 VAL N N 77 120.653 120.653 119.188 1.465 18433 6683 1 15 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.820 0.144 18433 6684 1 15 . 1 1 77 77 VAL CA C 77 66.879 66.879 66.718 0.161 18433 6685 1 15 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.775 0.244 18433 6686 1 15 . 1 1 77 77 VAL H H 77 8.626 8.626 8.633 -0.007 18433 6687 1 15 . 1 1 78 78 ILE N N 78 122.189 122.189 120.333 1.856 18433 6688 1 15 . 1 1 78 78 ILE HA H 78 3.986 3.986 4.006 -0.020 18433 6689 1 15 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.650 -0.810 18433 6690 1 15 . 1 1 78 78 ILE CB C 78 35.672 35.672 36.958 -1.286 18433 6691 1 15 . 1 1 78 78 ILE H H 78 8.755 8.755 8.918 -0.163 18433 6692 1 15 . 1 1 79 79 LYS N N 79 119.030 119.030 120.275 -1.245 18433 6693 1 15 . 1 1 79 79 LYS HA H 79 3.881 3.881 4.005 -0.124 18433 6694 1 15 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.899 1.539 18433 6695 1 15 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.629 0.993 18433 6696 1 15 . 1 1 79 79 LYS H H 79 8.413 8.413 8.001 0.412 18433 6697 1 15 . 1 1 80 80 TYR N N 80 121.226 121.226 121.341 -0.115 18433 6698 1 15 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.271 0.037 18433 6699 1 15 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.292 0.712 18433 6700 1 15 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.380 -0.369 18433 6701 1 15 . 1 1 80 80 TYR H H 80 8.205 8.205 7.746 0.459 18433 6702 1 15 . 1 1 81 81 MET N N 81 116.428 116.428 117.836 -1.408 18433 6703 1 15 . 1 1 81 81 MET HA H 81 3.711 3.711 4.157 -0.446 18433 6704 1 15 . 1 1 81 81 MET CA C 81 60.733 60.733 58.974 1.759 18433 6705 1 15 . 1 1 81 81 MET CB C 81 33.894 33.894 32.975 0.919 18433 6706 1 15 . 1 1 81 81 MET H H 81 8.578 8.578 8.664 -0.086 18433 6707 1 15 . 1 1 82 82 LYS N N 82 119.778 119.778 119.101 0.677 18433 6708 1 15 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.351 -0.658 18433 6709 1 15 . 1 1 82 82 LYS CA C 82 59.983 59.983 58.545 1.438 18433 6710 1 15 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.014 1.777 18433 6711 1 15 . 1 1 82 82 LYS H H 82 8.594 8.594 8.408 0.186 18433 6712 1 15 . 1 1 83 83 ARG N N 83 116.474 116.474 119.358 -2.884 18433 6713 1 15 . 1 1 83 83 ARG HA H 83 3.854 3.854 4.049 -0.195 18433 6714 1 15 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.519 -0.038 18433 6715 1 15 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.656 -0.054 18433 6716 1 15 . 1 1 83 83 ARG H H 83 7.145 7.145 7.351 -0.206 18433 6717 1 15 . 1 1 84 84 LEU N N 84 116.576 116.576 120.950 -4.374 18433 6718 1 15 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.936 -0.108 18433 6719 1 15 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.105 -0.171 18433 6720 1 15 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.916 1.123 18433 6721 1 15 . 1 1 84 84 LEU H H 84 7.284 7.284 7.061 0.223 18433 6722 1 15 . 1 1 85 85 MET N N 85 115.841 115.841 115.222 0.619 18433 6723 1 15 . 1 1 85 85 MET HA H 85 3.756 3.756 3.686 0.070 18433 6724 1 15 . 1 1 85 85 MET CA C 85 59.260 59.260 58.372 0.888 18433 6725 1 15 . 1 1 85 85 MET CB C 85 32.487 32.487 32.322 0.165 18433 6726 1 15 . 1 1 85 85 MET H H 85 8.683 8.683 7.815 0.868 18433 6727 1 15 . 1 1 86 86 GLN N N 86 114.640 114.640 114.677 -0.037 18433 6728 1 15 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.290 0.071 18433 6729 1 15 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.532 -0.675 18433 6730 1 15 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.447 -1.817 18433 6731 1 15 . 1 1 86 86 GLN H H 86 7.513 7.513 7.445 0.068 18433 6732 1 15 . 1 1 87 87 GLN N N 87 117.352 117.352 117.337 0.015 18433 6733 1 15 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.146 0.076 18433 6734 1 15 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.574 -0.240 18433 6735 1 15 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.665 0.474 18433 6736 1 15 . 1 1 87 87 GLN H H 87 7.277 7.277 7.551 -0.274 18433 6737 1 15 . 1 1 88 88 SER N N 88 113.778 113.778 116.953 -3.175 18433 6738 1 15 . 1 1 88 88 SER HA H 88 4.431 4.431 4.261 0.170 18433 6739 1 15 . 1 1 88 88 SER CA C 88 58.372 58.372 59.792 -1.420 18433 6740 1 15 . 1 1 88 88 SER CB C 88 63.525 63.525 63.824 -0.299 18433 6741 1 15 . 1 1 88 88 SER H H 88 7.482 7.482 7.849 -0.367 18433 6742 1 15 . 1 1 89 89 VAL N N 89 120.934 120.934 115.920 5.014 18433 6743 1 15 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.153 0.010 18433 6744 1 15 . 1 1 89 89 VAL CA C 89 62.661 62.661 63.364 -0.703 18433 6745 1 15 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.220 -0.248 18433 6746 1 15 . 1 1 89 89 VAL H H 89 8.188 8.188 8.432 -0.244 18433 6747 1 15 . 1 1 90 90 GLU N N 90 120.714 120.714 120.244 0.470 18433 6748 1 15 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.573 -0.132 18433 6749 1 15 . 1 1 90 90 GLU CA C 90 55.945 55.945 55.685 0.260 18433 6750 1 15 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.703 -0.095 18433 6751 1 15 . 1 1 90 90 GLU H H 90 8.411 8.411 8.063 0.348 18433 6752 1 15 . 1 1 91 91 SER HA H 91 4.451 4.451 4.246 0.205 18433 6753 1 15 . 1 1 91 91 SER CA C 91 59.681 59.681 61.247 -1.566 18433 6754 1 15 . 1 1 91 91 SER CB C 91 63.893 63.893 63.388 0.505 18433 6755 1 15 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.812 0.200 18433 6756 1 15 . 1 1 92 92 VAL CA C 92 64.738 64.738 64.321 0.417 18433 6757 1 15 . 1 1 92 92 VAL CB C 92 31.013 31.013 30.039 0.974 18433 6758 1 15 . 1 1 93 93 TRP N N 93 121.614 121.614 120.464 1.150 18433 6759 1 15 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.303 0.196 18433 6760 1 15 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.516 -0.840 18433 6761 1 15 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.432 0.425 18433 6762 1 15 . 1 1 93 93 TRP H H 93 7.551 7.551 7.429 0.122 18433 6763 1 15 . 1 1 94 94 ASN N N 94 119.013 119.013 117.149 1.864 18433 6764 1 15 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.460 -0.065 18433 6765 1 15 . 1 1 94 94 ASN CA C 94 57.238 57.238 57.089 0.149 18433 6766 1 15 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.434 0.313 18433 6767 1 15 . 1 1 94 94 ASN H H 94 7.794 7.794 8.197 -0.403 18433 6768 1 15 . 1 1 95 95 MET N N 95 117.158 117.158 118.159 -1.001 18433 6769 1 15 . 1 1 95 95 MET HA H 95 4.346 4.346 4.381 -0.035 18433 6770 1 15 . 1 1 95 95 MET CA C 95 58.445 58.445 58.566 -0.120 18433 6771 1 15 . 1 1 95 95 MET CB C 95 32.436 32.436 32.430 0.006 18433 6772 1 15 . 1 1 95 95 MET H H 95 7.751 7.751 7.543 0.208 18433 6773 1 15 . 1 1 96 96 ALA N N 96 123.406 123.406 123.030 0.376 18433 6774 1 15 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.137 0.070 18433 6775 1 15 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.253 0.192 18433 6776 1 15 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.135 -0.630 18433 6777 1 15 . 1 1 96 96 ALA H H 96 7.920 7.920 7.672 0.248 18433 6778 1 15 . 1 1 97 97 PHE N N 97 117.830 117.830 119.294 -1.464 18433 6779 1 15 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.372 -0.168 18433 6780 1 15 . 1 1 97 97 PHE CA C 97 62.853 62.853 60.272 2.581 18433 6781 1 15 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.127 -0.980 18433 6782 1 15 . 1 1 97 97 PHE H H 97 8.431 8.431 8.086 0.345 18433 6783 1 15 . 1 1 98 98 ASP N N 98 118.570 118.570 120.010 -1.440 18433 6784 1 15 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.039 0.209 18433 6785 1 15 . 1 1 98 98 ASP CA C 98 57.702 57.702 56.684 1.018 18433 6786 1 15 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.529 -0.129 18433 6787 1 15 . 1 1 98 98 ASP H H 98 7.805 7.805 7.806 -0.001 18433 6788 1 15 . 1 1 99 99 PHE N N 99 119.874 119.874 120.941 -1.067 18433 6789 1 15 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.146 0.148 18433 6790 1 15 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.608 -0.425 18433 6791 1 15 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.189 0.293 18433 6792 1 15 . 1 1 99 99 PHE H H 99 7.920 7.920 8.027 -0.107 18433 6793 1 15 . 1 1 100 100 ILE N N 100 122.589 122.589 119.203 3.386 18433 6794 1 15 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.450 -0.047 18433 6795 1 15 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.648 0.449 18433 6796 1 15 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.928 0.764 18433 6797 1 15 . 1 1 100 100 ILE H H 100 8.573 8.573 7.648 0.925 18433 6798 1 15 . 1 1 101 101 LEU N N 101 119.531 119.531 120.125 -0.594 18433 6799 1 15 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.799 -0.085 18433 6800 1 15 . 1 1 101 101 LEU CA C 101 57.998 57.998 57.873 0.125 18433 6801 1 15 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.233 -0.526 18433 6802 1 15 . 1 1 101 101 LEU H H 101 8.716 8.716 7.515 1.201 18433 6803 1 15 . 1 1 102 102 ASP N N 102 118.371 118.371 118.810 -0.439 18433 6804 1 15 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.329 -0.078 18433 6805 1 15 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.909 0.584 18433 6806 1 15 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.794 -0.015 18433 6807 1 15 . 1 1 102 102 ASP H H 102 8.343 8.343 8.315 0.028 18433 6808 1 15 . 1 1 103 103 ASN N N 103 115.409 115.409 115.701 -0.292 18433 6809 1 15 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.619 -0.486 18433 6810 1 15 . 1 1 103 103 ASN CA C 103 57.079 57.079 55.124 1.955 18433 6811 1 15 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.093 -0.103 18433 6812 1 15 . 1 1 103 103 ASN H H 103 7.393 7.393 7.233 0.160 18433 6813 1 15 . 1 1 104 104 VAL N N 104 119.972 119.972 121.999 -2.027 18433 6814 1 15 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.747 -0.330 18433 6815 1 15 . 1 1 104 104 VAL CA C 104 66.949 66.949 66.711 0.238 18433 6816 1 15 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.370 0.452 18433 6817 1 15 . 1 1 104 104 VAL H H 104 8.299 8.299 8.509 -0.210 18433 6818 1 15 . 1 1 105 105 GLN N N 105 118.449 118.449 117.882 0.567 18433 6819 1 15 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.974 0.420 18433 6820 1 15 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.730 0.290 18433 6821 1 15 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.802 0.787 18433 6822 1 15 . 1 1 105 105 GLN H H 105 8.763 8.763 8.041 0.722 18433 6823 1 15 . 1 1 106 106 VAL N N 106 118.643 118.643 119.802 -1.159 18433 6824 1 15 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.792 -0.078 18433 6825 1 15 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.277 0.131 18433 6826 1 15 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.364 0.333 18433 6827 1 15 . 1 1 106 106 VAL H H 106 7.607 7.607 7.613 -0.006 18433 6828 1 15 . 1 1 107 107 VAL N N 107 120.205 120.205 119.960 0.245 18433 6829 1 15 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.785 -0.056 18433 6830 1 15 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.595 0.778 18433 6831 1 15 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.547 -0.229 18433 6832 1 15 . 1 1 107 107 VAL H H 107 7.329 7.329 7.403 -0.074 18433 6833 1 15 . 1 1 108 108 LEU N N 108 123.706 123.706 119.088 4.618 18433 6834 1 15 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.321 -0.298 18433 6835 1 15 . 1 1 108 108 LEU CA C 108 58.902 58.902 57.878 1.024 18433 6836 1 15 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.492 0.483 18433 6837 1 15 . 1 1 108 108 LEU H H 108 8.742 8.742 8.209 0.533 18433 6838 1 15 . 1 1 109 109 GLN N N 109 119.622 119.622 118.945 0.677 18433 6839 1 15 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.137 -0.156 18433 6840 1 15 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.862 0.204 18433 6841 1 15 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.730 -0.463 18433 6842 1 15 . 1 1 109 109 GLN H H 109 8.456 8.456 7.935 0.521 18433 6843 1 15 . 1 1 110 110 GLN N N 110 117.492 117.492 117.425 0.067 18433 6844 1 15 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.081 -0.007 18433 6845 1 15 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.167 -0.091 18433 6846 1 15 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.565 0.127 18433 6847 1 15 . 1 1 110 110 GLN H H 110 8.060 8.060 7.835 0.225 18433 6848 1 15 . 1 1 111 111 THR N N 111 112.944 112.944 114.421 -1.477 18433 6849 1 15 . 1 1 111 111 THR HA H 111 4.017 4.017 4.058 -0.041 18433 6850 1 15 . 1 1 111 111 THR CA C 111 65.020 65.020 64.959 0.061 18433 6851 1 15 . 1 1 111 111 THR CB C 111 69.543 69.543 69.445 0.098 18433 6852 1 15 . 1 1 111 111 THR H H 111 7.934 7.934 7.542 0.392 18433 6853 1 15 . 1 1 112 112 TYR N N 112 118.273 118.273 117.724 0.549 18433 6854 1 15 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.537 0.160 18433 6855 1 15 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.371 0.049 18433 6856 1 15 . 1 1 112 112 TYR CB C 112 40.341 40.341 40.275 0.066 18433 6857 1 15 . 1 1 112 112 TYR H H 112 8.404 8.404 8.184 0.220 18433 6858 1 15 . 1 1 113 113 GLY N N 113 109.593 109.593 105.439 4.154 18433 6859 1 15 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.108 0.901 18433 6860 1 15 . 1 1 113 113 GLY H H 113 7.990 7.990 7.890 0.100 18433 6861 1 15 . 1 1 114 114 SER N N 114 113.965 113.965 115.093 -1.128 18433 6862 1 15 . 1 1 114 114 SER HA H 114 4.630 4.630 4.635 -0.005 18433 6863 1 15 . 1 1 114 114 SER CA C 114 57.356 57.356 57.336 0.020 18433 6864 1 15 . 1 1 114 114 SER CB C 114 64.543 64.543 63.934 0.609 18433 6865 1 15 . 1 1 114 114 SER H H 114 7.636 7.636 7.992 -0.356 18433 6866 1 15 . 1 1 115 115 THR N N 115 110.456 110.456 110.587 -0.131 18433 6867 1 15 . 1 1 115 115 THR HA H 115 4.406 4.406 4.647 -0.241 18433 6868 1 15 . 1 1 115 115 THR CA C 115 61.125 61.125 60.981 0.144 18433 6869 1 15 . 1 1 115 115 THR CB C 115 70.288 70.288 71.040 -0.752 18433 6870 1 15 . 1 1 115 115 THR H H 115 7.828 7.828 7.941 -0.113 18433 6871 1 15 . 1 1 116 116 LEU N N 116 123.832 123.832 121.595 2.237 18433 6872 1 15 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.556 -0.250 18433 6873 1 15 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.405 0.478 18433 6874 1 15 . 1 1 116 116 LEU CB C 116 42.795 42.795 43.986 -1.191 18433 6875 1 15 . 1 1 116 116 LEU H H 116 8.741 8.741 8.395 0.346 18433 6876 1 15 . 1 1 117 117 LYS N N 117 124.713 124.713 123.367 1.346 18433 6877 1 15 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.476 -0.063 18433 6878 1 15 . 1 1 117 117 LYS CA C 117 55.551 55.551 55.757 -0.206 18433 6879 1 15 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.250 1.302 18433 6880 1 15 . 1 1 117 117 LYS H H 117 8.479 8.479 8.555 -0.076 18433 6881 1 15 . 1 1 118 118 VAL N N 118 122.419 122.419 122.326 0.093 18433 6882 1 15 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.573 -0.331 18433 6883 1 15 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.565 0.390 18433 6884 1 15 . 1 1 118 118 VAL CB C 118 32.837 32.837 31.659 1.178 18433 6885 1 15 . 1 1 118 118 VAL H H 118 8.268 8.268 8.531 -0.263 18433 6886 1 16 . 1 1 24 24 ALA N N 24 123.308 123.308 124.425 -1.117 18433 6887 1 16 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.744 -0.200 18433 6888 1 16 . 1 1 24 24 ALA CA C 24 50.311 50.311 49.688 0.623 18433 6889 1 16 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.307 -0.710 18433 6890 1 16 . 1 1 24 24 ALA H H 24 7.820 7.820 8.102 -0.282 18433 6891 1 16 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.385 0.253 18433 6892 1 16 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.950 0.301 18433 6893 1 16 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.568 1.294 18433 6894 1 16 . 1 1 26 26 ASN N N 26 120.016 120.016 120.565 -0.549 18433 6895 1 16 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.516 -0.289 18433 6896 1 16 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.137 0.486 18433 6897 1 16 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.492 1.647 18433 6898 1 16 . 1 1 26 26 ASN H H 26 9.079 9.079 8.110 0.969 18433 6899 1 16 . 1 1 27 27 LEU N N 27 123.375 123.375 122.826 0.549 18433 6900 1 16 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.476 -0.239 18433 6901 1 16 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.087 -0.784 18433 6902 1 16 . 1 1 27 27 LEU CB C 27 42.817 42.817 43.034 -0.217 18433 6903 1 16 . 1 1 27 27 LEU H H 27 8.098 8.098 8.484 -0.386 18433 6904 1 16 . 1 1 28 28 ALA N N 28 126.889 126.889 129.899 -3.010 18433 6905 1 16 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.940 -0.266 18433 6906 1 16 . 1 1 28 28 ALA CA C 28 52.381 52.381 53.060 -0.679 18433 6907 1 16 . 1 1 28 28 ALA CB C 28 18.929 18.929 16.987 1.942 18433 6908 1 16 . 1 1 28 28 ALA H H 28 9.215 9.215 8.916 0.299 18433 6909 1 16 . 1 1 29 29 GLY N N 29 102.532 102.532 102.887 -0.355 18433 6910 1 16 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.761 0.077 18433 6911 1 16 . 1 1 29 29 GLY H H 29 7.943 7.943 8.413 -0.470 18433 6912 1 16 . 1 1 30 30 ALA N N 30 125.002 125.002 122.076 2.926 18433 6913 1 16 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.680 -0.429 18433 6914 1 16 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.704 1.444 18433 6915 1 16 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.459 -1.025 18433 6916 1 16 . 1 1 30 30 ALA H H 30 8.040 8.040 7.562 0.478 18433 6917 1 16 . 1 1 31 31 VAL N N 31 119.492 119.492 123.277 -3.785 18433 6918 1 16 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.152 0.116 18433 6919 1 16 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.191 -0.794 18433 6920 1 16 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.273 2.685 18433 6921 1 16 . 1 1 31 31 VAL H H 31 8.415 8.415 8.654 -0.239 18433 6922 1 16 . 1 1 32 32 GLU N N 32 122.142 122.142 119.497 2.645 18433 6923 1 16 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.395 -0.121 18433 6924 1 16 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.375 -0.179 18433 6925 1 16 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.542 -1.203 18433 6926 1 16 . 1 1 32 32 GLU H H 32 8.757 8.757 8.083 0.674 18433 6927 1 16 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.251 0.004 18433 6928 1 16 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.765 -0.429 18433 6929 1 16 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.656 -1.012 18433 6930 1 16 . 1 1 34 34 SER N N 34 112.028 112.028 114.319 -2.291 18433 6931 1 16 . 1 1 34 34 SER HA H 34 3.652 3.652 3.717 -0.065 18433 6932 1 16 . 1 1 34 34 SER CA C 34 61.642 61.642 61.181 0.461 18433 6933 1 16 . 1 1 34 34 SER CB C 34 61.807 61.807 62.311 -0.504 18433 6934 1 16 . 1 1 34 34 SER H H 34 8.902 8.902 8.665 0.237 18433 6935 1 16 . 1 1 35 35 ASP N N 35 121.321 121.321 119.319 2.002 18433 6936 1 16 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.458 0.040 18433 6937 1 16 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.127 0.433 18433 6938 1 16 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.709 0.518 18433 6939 1 16 . 1 1 35 35 ASP H H 35 6.930 6.930 8.266 -1.336 18433 6940 1 16 . 1 1 36 36 VAL N N 36 123.532 123.532 119.976 3.556 18433 6941 1 16 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.487 -0.239 18433 6942 1 16 . 1 1 36 36 VAL CA C 36 67.358 67.358 66.562 0.796 18433 6943 1 16 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.871 0.221 18433 6944 1 16 . 1 1 36 36 VAL H H 36 8.014 8.014 7.491 0.523 18433 6945 1 16 . 1 1 37 37 LYS N N 37 118.036 118.036 118.082 -0.046 18433 6946 1 16 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.578 -0.111 18433 6947 1 16 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.349 0.900 18433 6948 1 16 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.468 0.841 18433 6949 1 16 . 1 1 37 37 LYS H H 37 8.384 8.384 7.765 0.619 18433 6950 1 16 . 1 1 38 38 THR N N 38 115.765 115.765 116.887 -1.122 18433 6951 1 16 . 1 1 38 38 THR HA H 38 3.872 3.872 4.047 -0.175 18433 6952 1 16 . 1 1 38 38 THR CA C 38 66.652 66.652 66.092 0.560 18433 6953 1 16 . 1 1 38 38 THR CB C 38 68.664 68.664 68.719 -0.055 18433 6954 1 16 . 1 1 38 38 THR H H 38 7.344 7.344 7.362 -0.018 18433 6955 1 16 . 1 1 39 39 LEU N N 39 123.362 123.362 121.526 1.836 18433 6956 1 16 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.264 0.083 18433 6957 1 16 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.736 0.521 18433 6958 1 16 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.721 1.585 18433 6959 1 16 . 1 1 39 39 LEU H H 39 7.701 7.701 7.460 0.241 18433 6960 1 16 . 1 1 40 40 LEU N N 40 118.128 118.128 119.870 -1.742 18433 6961 1 16 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.138 0.237 18433 6962 1 16 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.217 0.095 18433 6963 1 16 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.446 1.342 18433 6964 1 16 . 1 1 40 40 LEU H H 40 8.434 8.434 7.806 0.628 18433 6965 1 16 . 1 1 41 41 LYS N N 41 117.838 117.838 119.220 -1.382 18433 6966 1 16 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.850 0.012 18433 6967 1 16 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.870 0.026 18433 6968 1 16 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.641 -0.945 18433 6969 1 16 . 1 1 41 41 LYS H H 41 8.571 8.571 8.436 0.135 18433 6970 1 16 . 1 1 42 42 GLU N N 42 122.248 122.248 116.820 5.428 18433 6971 1 16 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.224 -0.333 18433 6972 1 16 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.169 1.778 18433 6973 1 16 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.482 0.121 18433 6974 1 16 . 1 1 42 42 GLU H H 42 8.276 8.276 7.743 0.533 18433 6975 1 16 . 1 1 43 43 TRP N N 43 123.115 123.115 121.888 1.227 18433 6976 1 16 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.465 -1.440 18433 6977 1 16 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.561 -1.756 18433 6978 1 16 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.424 -0.772 18433 6979 1 16 . 1 1 43 43 TRP H H 43 8.318 8.318 8.052 0.266 18433 6980 1 16 . 1 1 44 44 ILE N N 44 112.941 112.941 114.045 -1.104 18433 6981 1 16 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.472 -0.933 18433 6982 1 16 . 1 1 44 44 ILE CA C 44 62.441 62.441 60.968 1.473 18433 6983 1 16 . 1 1 44 44 ILE CB C 44 38.393 38.393 37.819 0.574 18433 6984 1 16 . 1 1 44 44 ILE H H 44 7.567 7.567 7.506 0.061 18433 6985 1 16 . 1 1 45 45 THR N N 45 106.451 106.451 111.705 -5.254 18433 6986 1 16 . 1 1 45 45 THR HA H 45 4.080 4.080 4.333 -0.253 18433 6987 1 16 . 1 1 45 45 THR CA C 45 63.681 63.681 64.644 -0.963 18433 6988 1 16 . 1 1 45 45 THR CB C 45 70.147 70.147 69.238 0.909 18433 6989 1 16 . 1 1 45 45 THR H H 45 7.653 7.653 7.574 0.079 18433 6990 1 16 . 1 1 46 46 THR N N 46 110.600 110.600 117.090 -6.490 18433 6991 1 16 . 1 1 46 46 THR HA H 46 4.557 4.557 4.243 0.314 18433 6992 1 16 . 1 1 46 46 THR CA C 46 62.972 62.972 64.455 -1.483 18433 6993 1 16 . 1 1 46 46 THR CB C 46 71.039 71.039 69.355 1.684 18433 6994 1 16 . 1 1 46 46 THR H H 46 7.502 7.502 8.203 -0.701 18433 6995 1 16 . 1 1 47 47 ILE N N 47 124.370 124.370 120.980 3.390 18433 6996 1 16 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.314 0.159 18433 6997 1 16 . 1 1 47 47 ILE CA C 47 58.603 58.603 61.092 -2.489 18433 6998 1 16 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.560 -4.059 18433 6999 1 16 . 1 1 47 47 ILE H H 47 7.533 7.533 7.421 0.112 18433 7000 1 16 . 1 1 48 48 SER N N 48 119.846 119.846 121.044 -1.198 18433 7001 1 16 . 1 1 48 48 SER HA H 48 4.498 4.498 4.735 -0.237 18433 7002 1 16 . 1 1 48 48 SER CA C 48 59.280 59.280 59.050 0.230 18433 7003 1 16 . 1 1 48 48 SER CB C 48 63.813 63.813 64.357 -0.544 18433 7004 1 16 . 1 1 48 48 SER H H 48 8.423 8.423 8.713 -0.290 18433 7005 1 16 . 1 1 49 49 ASP N N 49 119.475 119.475 119.316 0.159 18433 7006 1 16 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.699 0.100 18433 7007 1 16 . 1 1 49 49 ASP CA C 49 50.804 50.804 51.106 -0.302 18433 7008 1 16 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.264 0.217 18433 7009 1 16 . 1 1 49 49 ASP H H 49 7.298 7.298 7.815 -0.517 18433 7010 1 16 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.453 -0.285 18433 7011 1 16 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.518 -0.606 18433 7012 1 16 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.410 -0.663 18433 7013 1 16 . 1 1 51 51 MET N N 51 121.983 121.983 121.349 0.634 18433 7014 1 16 . 1 1 51 51 MET HA H 51 4.492 4.492 4.589 -0.097 18433 7015 1 16 . 1 1 51 51 MET CA C 51 55.165 55.165 54.633 0.532 18433 7016 1 16 . 1 1 51 51 MET CB C 51 33.974 33.974 34.922 -0.948 18433 7017 1 16 . 1 1 51 51 MET H H 51 9.258 9.258 8.098 1.160 18433 7018 1 16 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.873 -0.041 18433 7019 1 16 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.893 -0.394 18433 7020 1 16 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.413 0.310 18433 7021 1 16 . 1 1 53 53 GLU N N 53 116.755 116.755 118.661 -1.906 18433 7022 1 16 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.109 -0.044 18433 7023 1 16 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.944 0.227 18433 7024 1 16 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.829 0.815 18433 7025 1 16 . 1 1 53 53 GLU H H 53 9.834 9.834 8.759 1.075 18433 7026 1 16 . 1 1 54 54 ASP N N 54 117.972 117.972 119.071 -1.099 18433 7027 1 16 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.382 0.616 18433 7028 1 16 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.190 0.871 18433 7029 1 16 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.418 1.848 18433 7030 1 16 . 1 1 54 54 ASP H H 54 7.348 7.348 8.268 -0.920 18433 7031 1 16 . 1 1 55 55 ILE N N 55 122.004 122.004 120.414 1.590 18433 7032 1 16 . 1 1 55 55 ILE HA H 55 3.935 3.935 3.967 -0.032 18433 7033 1 16 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.979 1.552 18433 7034 1 16 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.157 -0.018 18433 7035 1 16 . 1 1 55 55 ILE H H 55 8.081 8.081 8.009 0.072 18433 7036 1 16 . 1 1 56 56 LEU N N 56 117.547 117.547 120.768 -3.221 18433 7037 1 16 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.150 0.000 18433 7038 1 16 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.401 -0.466 18433 7039 1 16 . 1 1 56 56 LEU CB C 56 40.977 40.977 40.339 0.638 18433 7040 1 16 . 1 1 56 56 LEU H H 56 8.770 8.770 8.844 -0.074 18433 7041 1 16 . 1 1 57 57 GLN N N 57 119.917 119.917 117.608 2.309 18433 7042 1 16 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.042 0.024 18433 7043 1 16 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.886 1.485 18433 7044 1 16 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.240 -0.300 18433 7045 1 16 . 1 1 57 57 GLN H H 57 7.734 7.734 7.731 0.003 18433 7046 1 16 . 1 1 58 58 VAL N N 58 122.347 122.347 118.307 4.040 18433 7047 1 16 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.794 -0.179 18433 7048 1 16 . 1 1 58 58 VAL CA C 58 67.230 67.230 66.420 0.810 18433 7049 1 16 . 1 1 58 58 VAL CB C 58 31.272 31.272 31.659 -0.387 18433 7050 1 16 . 1 1 58 58 VAL H H 58 7.727 7.727 7.996 -0.269 18433 7051 1 16 . 1 1 59 59 VAL N N 59 121.131 121.131 121.375 -0.244 18433 7052 1 16 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.755 -0.349 18433 7053 1 16 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.841 1.207 18433 7054 1 16 . 1 1 59 59 VAL CB C 59 31.542 31.542 31.375 0.167 18433 7055 1 16 . 1 1 59 59 VAL H H 59 8.341 8.341 7.677 0.664 18433 7056 1 16 . 1 1 60 60 ARG N N 60 120.942 120.942 118.738 2.204 18433 7057 1 16 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.170 -0.055 18433 7058 1 16 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.556 -0.143 18433 7059 1 16 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.582 0.159 18433 7060 1 16 . 1 1 60 60 ARG H H 60 8.457 8.457 8.140 0.317 18433 7061 1 16 . 1 1 61 61 TYR N N 61 120.718 120.718 121.617 -0.899 18433 7062 1 16 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.319 0.247 18433 7063 1 16 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.489 -0.735 18433 7064 1 16 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.549 -0.196 18433 7065 1 16 . 1 1 61 61 TYR H H 61 7.833 7.833 7.484 0.349 18433 7066 1 16 . 1 1 62 62 CYS N N 62 114.924 114.924 117.596 -2.672 18433 7067 1 16 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.912 -0.239 18433 7068 1 16 . 1 1 62 62 CYS CA C 62 64.281 64.281 64.046 0.235 18433 7069 1 16 . 1 1 62 62 CYS CB C 62 27.717 27.717 28.415 -0.698 18433 7070 1 16 . 1 1 62 62 CYS H H 62 8.079 8.079 8.248 -0.169 18433 7071 1 16 . 1 1 63 63 THR N N 63 114.103 114.103 114.113 -0.010 18433 7072 1 16 . 1 1 63 63 THR HA H 63 3.852 3.852 4.030 -0.178 18433 7073 1 16 . 1 1 63 63 THR CA C 63 66.871 66.871 65.556 1.315 18433 7074 1 16 . 1 1 63 63 THR CB C 63 67.762 67.762 67.714 0.048 18433 7075 1 16 . 1 1 63 63 THR H H 63 8.721 8.721 8.674 0.047 18433 7076 1 16 . 1 1 64 64 ASP N N 64 126.664 126.664 121.682 4.982 18433 7077 1 16 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.519 -0.098 18433 7078 1 16 . 1 1 64 64 ASP CA C 64 57.784 57.784 57.079 0.705 18433 7079 1 16 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.168 -0.927 18433 7080 1 16 . 1 1 64 64 ASP H H 64 8.771 8.771 7.458 1.313 18433 7081 1 16 . 1 1 65 65 LEU N N 65 119.722 119.722 121.045 -1.323 18433 7082 1 16 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.942 -0.070 18433 7083 1 16 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.869 0.382 18433 7084 1 16 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.633 -0.143 18433 7085 1 16 . 1 1 65 65 LEU H H 65 7.850 7.850 7.507 0.343 18433 7086 1 16 . 1 1 66 66 ILE N N 66 119.189 119.189 119.813 -0.624 18433 7087 1 16 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.850 -0.452 18433 7088 1 16 . 1 1 66 66 ILE CA C 66 66.198 66.198 66.062 0.136 18433 7089 1 16 . 1 1 66 66 ILE CB C 66 37.730 37.730 37.962 -0.232 18433 7090 1 16 . 1 1 66 66 ILE H H 66 7.636 7.636 7.461 0.175 18433 7091 1 16 . 1 1 67 67 GLU N N 67 123.166 123.166 117.696 5.470 18433 7092 1 16 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.033 -0.038 18433 7093 1 16 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.826 0.769 18433 7094 1 16 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.058 0.124 18433 7095 1 16 . 1 1 67 67 GLU H H 67 8.512 8.512 7.947 0.565 18433 7096 1 16 . 1 1 68 68 GLU N N 68 116.524 116.524 117.057 -0.533 18433 7097 1 16 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.292 0.003 18433 7098 1 16 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.424 -0.646 18433 7099 1 16 . 1 1 68 68 GLU CB C 68 29.535 29.535 30.264 -0.729 18433 7100 1 16 . 1 1 68 68 GLU H H 68 7.633 7.633 8.146 -0.513 18433 7101 1 16 . 1 1 69 69 LYS N N 69 116.625 116.625 115.542 1.083 18433 7102 1 16 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.117 -0.472 18433 7103 1 16 . 1 1 69 69 LYS CA C 69 57.369 57.369 56.889 0.480 18433 7104 1 16 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.524 0.276 18433 7105 1 16 . 1 1 69 69 LYS H H 69 8.066 8.066 7.852 0.214 18433 7106 1 16 . 1 1 70 70 ASP N N 70 122.727 122.727 118.959 3.768 18433 7107 1 16 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.911 0.129 18433 7108 1 16 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.304 -1.908 18433 7109 1 16 . 1 1 70 70 ASP CB C 70 38.761 38.761 41.170 -2.409 18433 7110 1 16 . 1 1 70 70 ASP H H 70 8.483 8.483 8.522 -0.039 18433 7111 1 16 . 1 1 71 71 LEU N N 71 119.712 119.712 120.041 -0.329 18433 7112 1 16 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.857 0.024 18433 7113 1 16 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.244 -0.732 18433 7114 1 16 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.219 -0.973 18433 7115 1 16 . 1 1 71 71 LEU H H 71 7.515 7.515 8.252 -0.737 18433 7116 1 16 . 1 1 72 72 GLU N N 72 121.320 121.320 119.931 1.389 18433 7117 1 16 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.875 0.173 18433 7118 1 16 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.540 -0.034 18433 7119 1 16 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.291 0.028 18433 7120 1 16 . 1 1 72 72 GLU H H 72 8.561 8.561 8.575 -0.014 18433 7121 1 16 . 1 1 73 73 LYS N N 73 119.338 119.338 117.314 2.024 18433 7122 1 16 . 1 1 73 73 LYS HA H 73 3.737 3.737 4.000 -0.263 18433 7123 1 16 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.127 1.381 18433 7124 1 16 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.125 0.244 18433 7125 1 16 . 1 1 73 73 LYS H H 73 7.448 7.448 7.528 -0.080 18433 7126 1 16 . 1 1 74 74 LEU N N 74 117.830 117.830 123.962 -6.132 18433 7127 1 16 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.027 -0.147 18433 7128 1 16 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.653 -0.711 18433 7129 1 16 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.834 -0.338 18433 7130 1 16 . 1 1 74 74 LEU H H 74 7.516 7.516 7.497 0.019 18433 7131 1 16 . 1 1 75 75 ASP N N 75 117.736 117.736 118.659 -0.923 18433 7132 1 16 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.435 -0.193 18433 7133 1 16 . 1 1 75 75 ASP CA C 75 57.852 57.852 57.827 0.025 18433 7134 1 16 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.722 1.601 18433 7135 1 16 . 1 1 75 75 ASP H H 75 7.828 7.828 7.945 -0.117 18433 7136 1 16 . 1 1 76 76 LEU N N 76 116.254 116.254 120.340 -4.086 18433 7137 1 16 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.213 -0.303 18433 7138 1 16 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.651 0.305 18433 7139 1 16 . 1 1 76 76 LEU CB C 76 41.827 41.827 42.029 -0.202 18433 7140 1 16 . 1 1 76 76 LEU H H 76 7.454 7.454 7.360 0.094 18433 7141 1 16 . 1 1 77 77 VAL N N 77 120.653 120.653 119.196 1.457 18433 7142 1 16 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.810 0.154 18433 7143 1 16 . 1 1 77 77 VAL CA C 77 66.879 66.879 66.654 0.225 18433 7144 1 16 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.694 0.325 18433 7145 1 16 . 1 1 77 77 VAL H H 77 8.626 8.626 8.682 -0.056 18433 7146 1 16 . 1 1 78 78 ILE N N 78 122.189 122.189 120.508 1.681 18433 7147 1 16 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.986 -0.000 18433 7148 1 16 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.604 -0.764 18433 7149 1 16 . 1 1 78 78 ILE CB C 78 35.672 35.672 36.960 -1.288 18433 7150 1 16 . 1 1 78 78 ILE H H 78 8.755 8.755 8.959 -0.204 18433 7151 1 16 . 1 1 79 79 LYS N N 79 119.030 119.030 120.182 -1.152 18433 7152 1 16 . 1 1 79 79 LYS HA H 79 3.881 3.881 3.995 -0.114 18433 7153 1 16 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.959 1.479 18433 7154 1 16 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.664 0.958 18433 7155 1 16 . 1 1 79 79 LYS H H 79 8.413 8.413 7.997 0.416 18433 7156 1 16 . 1 1 80 80 TYR N N 80 121.226 121.226 121.362 -0.136 18433 7157 1 16 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.264 0.044 18433 7158 1 16 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.284 0.720 18433 7159 1 16 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.390 -0.379 18433 7160 1 16 . 1 1 80 80 TYR H H 80 8.205 8.205 7.745 0.460 18433 7161 1 16 . 1 1 81 81 MET N N 81 116.428 116.428 117.760 -1.332 18433 7162 1 16 . 1 1 81 81 MET HA H 81 3.711 3.711 4.147 -0.436 18433 7163 1 16 . 1 1 81 81 MET CA C 81 60.733 60.733 58.916 1.817 18433 7164 1 16 . 1 1 81 81 MET CB C 81 33.894 33.894 32.969 0.925 18433 7165 1 16 . 1 1 81 81 MET H H 81 8.578 8.578 8.633 -0.055 18433 7166 1 16 . 1 1 82 82 LYS N N 82 119.778 119.778 119.113 0.665 18433 7167 1 16 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.345 -0.652 18433 7168 1 16 . 1 1 82 82 LYS CA C 82 59.983 59.983 58.504 1.479 18433 7169 1 16 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.010 1.781 18433 7170 1 16 . 1 1 82 82 LYS H H 82 8.594 8.594 8.346 0.248 18433 7171 1 16 . 1 1 83 83 ARG N N 83 116.474 116.474 119.265 -2.791 18433 7172 1 16 . 1 1 83 83 ARG HA H 83 3.854 3.854 4.053 -0.199 18433 7173 1 16 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.479 0.002 18433 7174 1 16 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.651 -0.049 18433 7175 1 16 . 1 1 83 83 ARG H H 83 7.145 7.145 7.342 -0.197 18433 7176 1 16 . 1 1 84 84 LEU N N 84 116.576 116.576 120.883 -4.307 18433 7177 1 16 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.911 -0.083 18433 7178 1 16 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.013 -0.079 18433 7179 1 16 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.948 1.091 18433 7180 1 16 . 1 1 84 84 LEU H H 84 7.284 7.284 7.046 0.238 18433 7181 1 16 . 1 1 85 85 MET N N 85 115.841 115.841 114.517 1.324 18433 7182 1 16 . 1 1 85 85 MET HA H 85 3.756 3.756 3.657 0.099 18433 7183 1 16 . 1 1 85 85 MET CA C 85 59.260 59.260 58.399 0.861 18433 7184 1 16 . 1 1 85 85 MET CB C 85 32.487 32.487 32.411 0.076 18433 7185 1 16 . 1 1 85 85 MET H H 85 8.683 8.683 7.699 0.984 18433 7186 1 16 . 1 1 86 86 GLN N N 86 114.640 114.640 114.190 0.450 18433 7187 1 16 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.147 0.214 18433 7188 1 16 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.469 -0.612 18433 7189 1 16 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.562 -1.932 18433 7190 1 16 . 1 1 86 86 GLN H H 86 7.513 7.513 7.393 0.120 18433 7191 1 16 . 1 1 87 87 GLN N N 87 117.352 117.352 116.934 0.418 18433 7192 1 16 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.292 -0.070 18433 7193 1 16 . 1 1 87 87 GLN CA C 87 56.334 56.334 55.807 0.527 18433 7194 1 16 . 1 1 87 87 GLN CB C 87 29.139 29.139 29.022 0.117 18433 7195 1 16 . 1 1 87 87 GLN H H 87 7.277 7.277 7.480 -0.203 18433 7196 1 16 . 1 1 88 88 SER N N 88 113.778 113.778 114.508 -0.730 18433 7197 1 16 . 1 1 88 88 SER HA H 88 4.431 4.431 4.288 0.143 18433 7198 1 16 . 1 1 88 88 SER CA C 88 58.372 58.372 58.004 0.368 18433 7199 1 16 . 1 1 88 88 SER CB C 88 63.525 63.525 64.068 -0.543 18433 7200 1 16 . 1 1 88 88 SER H H 88 7.482 7.482 7.460 0.022 18433 7201 1 16 . 1 1 89 89 VAL N N 89 120.934 120.934 118.148 2.786 18433 7202 1 16 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.118 0.045 18433 7203 1 16 . 1 1 89 89 VAL CA C 89 62.661 62.661 63.313 -0.652 18433 7204 1 16 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.452 -0.480 18433 7205 1 16 . 1 1 89 89 VAL H H 89 8.188 8.188 8.579 -0.391 18433 7206 1 16 . 1 1 90 90 GLU N N 90 120.714 120.714 119.999 0.715 18433 7207 1 16 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.465 -0.024 18433 7208 1 16 . 1 1 90 90 GLU CA C 90 55.945 55.945 55.814 0.131 18433 7209 1 16 . 1 1 90 90 GLU CB C 90 29.607 29.607 30.415 -0.808 18433 7210 1 16 . 1 1 90 90 GLU H H 90 8.411 8.411 8.076 0.335 18433 7211 1 16 . 1 1 91 91 SER HA H 91 4.451 4.451 4.300 0.151 18433 7212 1 16 . 1 1 91 91 SER CA C 91 59.681 59.681 60.326 -0.645 18433 7213 1 16 . 1 1 91 91 SER CB C 91 63.893 63.893 63.350 0.543 18433 7214 1 16 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.689 0.323 18433 7215 1 16 . 1 1 92 92 VAL CA C 92 64.738 64.738 65.161 -0.423 18433 7216 1 16 . 1 1 92 92 VAL CB C 92 31.013 31.013 31.413 -0.400 18433 7217 1 16 . 1 1 93 93 TRP N N 93 121.614 121.614 119.126 2.488 18433 7218 1 16 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.296 0.203 18433 7219 1 16 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.153 -0.477 18433 7220 1 16 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.252 0.606 18433 7221 1 16 . 1 1 93 93 TRP H H 93 7.551 7.551 7.496 0.055 18433 7222 1 16 . 1 1 94 94 ASN N N 94 119.013 119.013 116.969 2.044 18433 7223 1 16 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.454 -0.059 18433 7224 1 16 . 1 1 94 94 ASN CA C 94 57.238 57.238 57.071 0.167 18433 7225 1 16 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.464 0.283 18433 7226 1 16 . 1 1 94 94 ASN H H 94 7.794 7.794 7.902 -0.108 18433 7227 1 16 . 1 1 95 95 MET N N 95 117.158 117.158 117.964 -0.806 18433 7228 1 16 . 1 1 95 95 MET HA H 95 4.346 4.346 4.389 -0.043 18433 7229 1 16 . 1 1 95 95 MET CA C 95 58.445 58.445 58.309 0.136 18433 7230 1 16 . 1 1 95 95 MET CB C 95 32.436 32.436 32.418 0.018 18433 7231 1 16 . 1 1 95 95 MET H H 95 7.751 7.751 7.565 0.186 18433 7232 1 16 . 1 1 96 96 ALA N N 96 123.406 123.406 123.461 -0.055 18433 7233 1 16 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.132 0.075 18433 7234 1 16 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.339 0.106 18433 7235 1 16 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.135 -0.630 18433 7236 1 16 . 1 1 96 96 ALA H H 96 7.920 7.920 7.916 0.004 18433 7237 1 16 . 1 1 97 97 PHE N N 97 117.830 117.830 119.128 -1.298 18433 7238 1 16 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.335 -0.131 18433 7239 1 16 . 1 1 97 97 PHE CA C 97 62.853 62.853 60.379 2.474 18433 7240 1 16 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.012 -0.865 18433 7241 1 16 . 1 1 97 97 PHE H H 97 8.431 8.431 8.104 0.327 18433 7242 1 16 . 1 1 98 98 ASP N N 98 118.570 118.570 119.912 -1.342 18433 7243 1 16 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.044 0.204 18433 7244 1 16 . 1 1 98 98 ASP CA C 98 57.702 57.702 56.775 0.927 18433 7245 1 16 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.566 -0.166 18433 7246 1 16 . 1 1 98 98 ASP H H 98 7.805 7.805 7.736 0.069 18433 7247 1 16 . 1 1 99 99 PHE N N 99 119.874 119.874 120.890 -1.016 18433 7248 1 16 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.121 0.173 18433 7249 1 16 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.618 -0.435 18433 7250 1 16 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.228 0.254 18433 7251 1 16 . 1 1 99 99 PHE H H 99 7.920 7.920 8.067 -0.147 18433 7252 1 16 . 1 1 100 100 ILE N N 100 122.589 122.589 119.025 3.564 18433 7253 1 16 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.526 -0.123 18433 7254 1 16 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.564 0.533 18433 7255 1 16 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.949 0.743 18433 7256 1 16 . 1 1 100 100 ILE H H 100 8.573 8.573 7.819 0.754 18433 7257 1 16 . 1 1 101 101 LEU N N 101 119.531 119.531 120.277 -0.746 18433 7258 1 16 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.792 -0.078 18433 7259 1 16 . 1 1 101 101 LEU CA C 101 57.998 57.998 58.125 -0.127 18433 7260 1 16 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.217 -0.510 18433 7261 1 16 . 1 1 101 101 LEU H H 101 8.716 8.716 7.539 1.177 18433 7262 1 16 . 1 1 102 102 ASP N N 102 118.371 118.371 118.496 -0.125 18433 7263 1 16 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.334 -0.083 18433 7264 1 16 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.766 0.727 18433 7265 1 16 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.654 0.125 18433 7266 1 16 . 1 1 102 102 ASP H H 102 8.343 8.343 8.393 -0.050 18433 7267 1 16 . 1 1 103 103 ASN N N 103 115.409 115.409 116.330 -0.921 18433 7268 1 16 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.635 -0.502 18433 7269 1 16 . 1 1 103 103 ASN CA C 103 57.079 57.079 54.957 2.122 18433 7270 1 16 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.347 -0.357 18433 7271 1 16 . 1 1 103 103 ASN H H 103 7.393 7.393 7.241 0.152 18433 7272 1 16 . 1 1 104 104 VAL N N 104 119.972 119.972 122.457 -2.485 18433 7273 1 16 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.637 -0.220 18433 7274 1 16 . 1 1 104 104 VAL CA C 104 66.949 66.949 67.324 -0.375 18433 7275 1 16 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.980 -0.158 18433 7276 1 16 . 1 1 104 104 VAL H H 104 8.299 8.299 8.572 -0.273 18433 7277 1 16 . 1 1 105 105 GLN N N 105 118.449 118.449 117.865 0.584 18433 7278 1 16 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.983 0.411 18433 7279 1 16 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.794 0.226 18433 7280 1 16 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.939 0.651 18433 7281 1 16 . 1 1 105 105 GLN H H 105 8.763 8.763 8.108 0.655 18433 7282 1 16 . 1 1 106 106 VAL N N 106 118.643 118.643 119.942 -1.299 18433 7283 1 16 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.739 -0.025 18433 7284 1 16 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.125 0.283 18433 7285 1 16 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.520 0.177 18433 7286 1 16 . 1 1 106 106 VAL H H 106 7.607 7.607 7.637 -0.030 18433 7287 1 16 . 1 1 107 107 VAL N N 107 120.205 120.205 119.406 0.799 18433 7288 1 16 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.697 0.032 18433 7289 1 16 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.773 0.600 18433 7290 1 16 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.905 -0.588 18433 7291 1 16 . 1 1 107 107 VAL H H 107 7.329 7.329 7.253 0.076 18433 7292 1 16 . 1 1 108 108 LEU N N 108 123.706 123.706 118.937 4.769 18433 7293 1 16 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.227 -0.204 18433 7294 1 16 . 1 1 108 108 LEU CA C 108 58.902 58.902 57.897 1.005 18433 7295 1 16 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.717 0.258 18433 7296 1 16 . 1 1 108 108 LEU H H 108 8.742 8.742 8.274 0.468 18433 7297 1 16 . 1 1 109 109 GLN N N 109 119.622 119.622 119.008 0.614 18433 7298 1 16 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.131 -0.150 18433 7299 1 16 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.852 0.214 18433 7300 1 16 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.749 -0.482 18433 7301 1 16 . 1 1 109 109 GLN H H 109 8.456 8.456 7.845 0.611 18433 7302 1 16 . 1 1 110 110 GLN N N 110 117.492 117.492 117.121 0.371 18433 7303 1 16 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.073 0.001 18433 7304 1 16 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.218 -0.142 18433 7305 1 16 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.599 0.094 18433 7306 1 16 . 1 1 110 110 GLN H H 110 8.060 8.060 7.841 0.219 18433 7307 1 16 . 1 1 111 111 THR N N 111 112.944 112.944 114.223 -1.279 18433 7308 1 16 . 1 1 111 111 THR HA H 111 4.017 4.017 4.076 -0.059 18433 7309 1 16 . 1 1 111 111 THR CA C 111 65.020 65.020 64.427 0.593 18433 7310 1 16 . 1 1 111 111 THR CB C 111 69.543 69.543 69.643 -0.100 18433 7311 1 16 . 1 1 111 111 THR H H 111 7.934 7.934 7.536 0.398 18433 7312 1 16 . 1 1 112 112 TYR N N 112 118.273 118.273 117.628 0.645 18433 7313 1 16 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.498 0.199 18433 7314 1 16 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.330 0.090 18433 7315 1 16 . 1 1 112 112 TYR CB C 112 40.341 40.341 40.358 -0.017 18433 7316 1 16 . 1 1 112 112 TYR H H 112 8.404 8.404 8.079 0.325 18433 7317 1 16 . 1 1 113 113 GLY N N 113 109.593 109.593 106.243 3.350 18433 7318 1 16 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.060 0.948 18433 7319 1 16 . 1 1 113 113 GLY H H 113 7.990 7.990 7.892 0.098 18433 7320 1 16 . 1 1 114 114 SER N N 114 113.965 113.965 114.756 -0.791 18433 7321 1 16 . 1 1 114 114 SER HA H 114 4.630 4.630 4.660 -0.030 18433 7322 1 16 . 1 1 114 114 SER CA C 114 57.356 57.356 57.228 0.128 18433 7323 1 16 . 1 1 114 114 SER CB C 114 64.543 64.543 64.139 0.404 18433 7324 1 16 . 1 1 114 114 SER H H 114 7.636 7.636 8.065 -0.429 18433 7325 1 16 . 1 1 115 115 THR N N 115 110.456 110.456 111.011 -0.555 18433 7326 1 16 . 1 1 115 115 THR HA H 115 4.406 4.406 4.613 -0.207 18433 7327 1 16 . 1 1 115 115 THR CA C 115 61.125 61.125 60.871 0.254 18433 7328 1 16 . 1 1 115 115 THR CB C 115 70.288 70.288 71.019 -0.731 18433 7329 1 16 . 1 1 115 115 THR H H 115 7.828 7.828 7.947 -0.119 18433 7330 1 16 . 1 1 116 116 LEU N N 116 123.832 123.832 121.633 2.199 18433 7331 1 16 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.541 -0.235 18433 7332 1 16 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.234 0.649 18433 7333 1 16 . 1 1 116 116 LEU CB C 116 42.795 42.795 44.013 -1.218 18433 7334 1 16 . 1 1 116 116 LEU H H 116 8.741 8.741 8.416 0.325 18433 7335 1 16 . 1 1 117 117 LYS N N 117 124.713 124.713 124.964 -0.251 18433 7336 1 16 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.428 -0.015 18433 7337 1 16 . 1 1 117 117 LYS CA C 117 55.551 55.551 55.910 -0.359 18433 7338 1 16 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.611 0.940 18433 7339 1 16 . 1 1 117 117 LYS H H 117 8.479 8.479 8.546 -0.067 18433 7340 1 16 . 1 1 118 118 VAL N N 118 122.419 122.419 122.395 0.024 18433 7341 1 16 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.563 -0.321 18433 7342 1 16 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.458 0.497 18433 7343 1 16 . 1 1 118 118 VAL CB C 118 32.837 32.837 32.887 -0.050 18433 7344 1 16 . 1 1 118 118 VAL H H 118 8.268 8.268 8.347 -0.079 18433 7345 1 17 . 1 1 24 24 ALA N N 24 123.308 123.308 123.948 -0.640 18433 7346 1 17 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.802 -0.258 18433 7347 1 17 . 1 1 24 24 ALA CA C 24 50.311 50.311 50.068 0.243 18433 7348 1 17 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.262 -0.665 18433 7349 1 17 . 1 1 24 24 ALA H H 24 7.820 7.820 8.228 -0.408 18433 7350 1 17 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.376 0.262 18433 7351 1 17 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.912 0.339 18433 7352 1 17 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.410 1.452 18433 7353 1 17 . 1 1 26 26 ASN N N 26 120.016 120.016 121.043 -1.027 18433 7354 1 17 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.577 -0.350 18433 7355 1 17 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.192 0.431 18433 7356 1 17 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.167 1.972 18433 7357 1 17 . 1 1 26 26 ASN H H 26 9.079 9.079 8.135 0.944 18433 7358 1 17 . 1 1 27 27 LEU N N 27 123.375 123.375 124.260 -0.885 18433 7359 1 17 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.403 -0.166 18433 7360 1 17 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.146 -0.843 18433 7361 1 17 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.489 0.328 18433 7362 1 17 . 1 1 27 27 LEU H H 27 8.098 8.098 8.573 -0.475 18433 7363 1 17 . 1 1 28 28 ALA N N 28 126.889 126.889 130.647 -3.758 18433 7364 1 17 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.906 -0.232 18433 7365 1 17 . 1 1 28 28 ALA CA C 28 52.381 52.381 53.181 -0.800 18433 7366 1 17 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.009 1.920 18433 7367 1 17 . 1 1 28 28 ALA H H 28 9.215 9.215 8.926 0.289 18433 7368 1 17 . 1 1 29 29 GLY N N 29 102.532 102.532 102.333 0.199 18433 7369 1 17 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.718 0.120 18433 7370 1 17 . 1 1 29 29 GLY H H 29 7.943 7.943 8.478 -0.535 18433 7371 1 17 . 1 1 30 30 ALA N N 30 125.002 125.002 122.020 2.982 18433 7372 1 17 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.727 -0.476 18433 7373 1 17 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.645 1.503 18433 7374 1 17 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.486 -1.052 18433 7375 1 17 . 1 1 30 30 ALA H H 30 8.040 8.040 7.567 0.473 18433 7376 1 17 . 1 1 31 31 VAL N N 31 119.492 119.492 123.815 -4.323 18433 7377 1 17 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.163 0.105 18433 7378 1 17 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.646 -1.249 18433 7379 1 17 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.643 2.315 18433 7380 1 17 . 1 1 31 31 VAL H H 31 8.415 8.415 8.591 -0.176 18433 7381 1 17 . 1 1 32 32 GLU N N 32 122.142 122.142 118.921 3.221 18433 7382 1 17 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.325 -0.051 18433 7383 1 17 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.618 -0.422 18433 7384 1 17 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.573 -1.234 18433 7385 1 17 . 1 1 32 32 GLU H H 32 8.757 8.757 7.902 0.855 18433 7386 1 17 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.196 0.059 18433 7387 1 17 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.670 -0.334 18433 7388 1 17 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.476 -0.832 18433 7389 1 17 . 1 1 34 34 SER N N 34 112.028 112.028 114.381 -2.353 18433 7390 1 17 . 1 1 34 34 SER HA H 34 3.652 3.652 3.756 -0.104 18433 7391 1 17 . 1 1 34 34 SER CA C 34 61.642 61.642 61.486 0.156 18433 7392 1 17 . 1 1 34 34 SER CB C 34 61.807 61.807 62.014 -0.207 18433 7393 1 17 . 1 1 34 34 SER H H 34 8.902 8.902 8.437 0.465 18433 7394 1 17 . 1 1 35 35 ASP N N 35 121.321 121.321 117.887 3.434 18433 7395 1 17 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.550 -0.052 18433 7396 1 17 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.467 0.093 18433 7397 1 17 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.613 0.614 18433 7398 1 17 . 1 1 35 35 ASP H H 35 6.930 6.930 8.313 -1.383 18433 7399 1 17 . 1 1 36 36 VAL N N 36 123.532 123.532 119.611 3.921 18433 7400 1 17 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.606 -0.358 18433 7401 1 17 . 1 1 36 36 VAL CA C 36 67.358 67.358 64.866 2.492 18433 7402 1 17 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.475 0.617 18433 7403 1 17 . 1 1 36 36 VAL H H 36 8.014 8.014 7.257 0.757 18433 7404 1 17 . 1 1 37 37 LYS N N 37 118.036 118.036 118.260 -0.224 18433 7405 1 17 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.689 -0.222 18433 7406 1 17 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.429 0.820 18433 7407 1 17 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.543 0.766 18433 7408 1 17 . 1 1 37 37 LYS H H 37 8.384 8.384 8.123 0.261 18433 7409 1 17 . 1 1 38 38 THR N N 38 115.765 115.765 117.396 -1.631 18433 7410 1 17 . 1 1 38 38 THR HA H 38 3.872 3.872 4.056 -0.184 18433 7411 1 17 . 1 1 38 38 THR CA C 38 66.652 66.652 66.375 0.277 18433 7412 1 17 . 1 1 38 38 THR CB C 38 68.664 68.664 68.737 -0.073 18433 7413 1 17 . 1 1 38 38 THR H H 38 7.344 7.344 7.311 0.033 18433 7414 1 17 . 1 1 39 39 LEU N N 39 123.362 123.362 121.625 1.737 18433 7415 1 17 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.387 -0.040 18433 7416 1 17 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.786 0.471 18433 7417 1 17 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.727 1.579 18433 7418 1 17 . 1 1 39 39 LEU H H 39 7.701 7.701 7.378 0.323 18433 7419 1 17 . 1 1 40 40 LEU N N 40 118.128 118.128 119.417 -1.289 18433 7420 1 17 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.152 0.223 18433 7421 1 17 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.126 0.186 18433 7422 1 17 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.517 1.271 18433 7423 1 17 . 1 1 40 40 LEU H H 40 8.434 8.434 7.838 0.596 18433 7424 1 17 . 1 1 41 41 LYS N N 41 117.838 117.838 119.386 -1.548 18433 7425 1 17 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.848 0.014 18433 7426 1 17 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.833 0.063 18433 7427 1 17 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.639 -0.944 18433 7428 1 17 . 1 1 41 41 LYS H H 41 8.571 8.571 8.333 0.238 18433 7429 1 17 . 1 1 42 42 GLU N N 42 122.248 122.248 116.719 5.529 18433 7430 1 17 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.224 -0.333 18433 7431 1 17 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.179 1.767 18433 7432 1 17 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.494 0.109 18433 7433 1 17 . 1 1 42 42 GLU H H 42 8.276 8.276 7.830 0.446 18433 7434 1 17 . 1 1 43 43 TRP N N 43 123.115 123.115 121.911 1.204 18433 7435 1 17 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.472 -1.447 18433 7436 1 17 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.464 -1.659 18433 7437 1 17 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.392 -0.740 18433 7438 1 17 . 1 1 43 43 TRP H H 43 8.318 8.318 7.990 0.328 18433 7439 1 17 . 1 1 44 44 ILE N N 44 112.941 112.941 113.700 -0.759 18433 7440 1 17 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.485 -0.946 18433 7441 1 17 . 1 1 44 44 ILE CA C 44 62.441 62.441 60.967 1.474 18433 7442 1 17 . 1 1 44 44 ILE CB C 44 38.393 38.393 37.747 0.646 18433 7443 1 17 . 1 1 44 44 ILE H H 44 7.567 7.567 7.368 0.199 18433 7444 1 17 . 1 1 45 45 THR N N 45 106.451 106.451 112.043 -5.592 18433 7445 1 17 . 1 1 45 45 THR HA H 45 4.080 4.080 4.295 -0.215 18433 7446 1 17 . 1 1 45 45 THR CA C 45 63.681 63.681 64.546 -0.865 18433 7447 1 17 . 1 1 45 45 THR CB C 45 70.147 70.147 69.713 0.434 18433 7448 1 17 . 1 1 45 45 THR H H 45 7.653 7.653 7.569 0.084 18433 7449 1 17 . 1 1 46 46 THR N N 46 110.600 110.600 115.440 -4.840 18433 7450 1 17 . 1 1 46 46 THR HA H 46 4.557 4.557 4.255 0.302 18433 7451 1 17 . 1 1 46 46 THR CA C 46 62.972 62.972 64.584 -1.611 18433 7452 1 17 . 1 1 46 46 THR CB C 46 71.039 71.039 69.263 1.776 18433 7453 1 17 . 1 1 46 46 THR H H 46 7.502 7.502 8.159 -0.657 18433 7454 1 17 . 1 1 47 47 ILE N N 47 124.370 124.370 121.160 3.210 18433 7455 1 17 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.348 0.125 18433 7456 1 17 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.699 -2.096 18433 7457 1 17 . 1 1 47 47 ILE CB C 47 36.501 36.501 41.014 -4.513 18433 7458 1 17 . 1 1 47 47 ILE H H 47 7.533 7.533 7.356 0.177 18433 7459 1 17 . 1 1 48 48 SER N N 48 119.846 119.846 120.952 -1.106 18433 7460 1 17 . 1 1 48 48 SER HA H 48 4.498 4.498 4.796 -0.298 18433 7461 1 17 . 1 1 48 48 SER CA C 48 59.280 59.280 59.548 -0.268 18433 7462 1 17 . 1 1 48 48 SER CB C 48 63.813 63.813 64.340 -0.527 18433 7463 1 17 . 1 1 48 48 SER H H 48 8.423 8.423 8.716 -0.293 18433 7464 1 17 . 1 1 49 49 ASP N N 49 119.475 119.475 122.077 -2.602 18433 7465 1 17 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.687 0.112 18433 7466 1 17 . 1 1 49 49 ASP CA C 49 50.804 50.804 50.628 0.176 18433 7467 1 17 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.231 0.250 18433 7468 1 17 . 1 1 49 49 ASP H H 49 7.298 7.298 7.862 -0.564 18433 7469 1 17 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.595 -0.427 18433 7470 1 17 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.569 -0.657 18433 7471 1 17 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.293 -0.546 18433 7472 1 17 . 1 1 51 51 MET N N 51 121.983 121.983 121.891 0.092 18433 7473 1 17 . 1 1 51 51 MET HA H 51 4.492 4.492 4.651 -0.159 18433 7474 1 17 . 1 1 51 51 MET CA C 51 55.165 55.165 54.690 0.475 18433 7475 1 17 . 1 1 51 51 MET CB C 51 33.974 33.974 35.157 -1.183 18433 7476 1 17 . 1 1 51 51 MET H H 51 9.258 9.258 8.136 1.122 18433 7477 1 17 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.742 0.090 18433 7478 1 17 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.204 0.295 18433 7479 1 17 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.023 0.700 18433 7480 1 17 . 1 1 53 53 GLU N N 53 116.755 116.755 118.711 -1.956 18433 7481 1 17 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.083 -0.018 18433 7482 1 17 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.644 0.527 18433 7483 1 17 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.930 0.714 18433 7484 1 17 . 1 1 53 53 GLU H H 53 9.834 9.834 8.567 1.267 18433 7485 1 17 . 1 1 54 54 ASP N N 54 117.972 117.972 117.686 0.286 18433 7486 1 17 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.357 0.641 18433 7487 1 17 . 1 1 54 54 ASP CA C 54 58.061 58.061 56.919 1.142 18433 7488 1 17 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.469 1.797 18433 7489 1 17 . 1 1 54 54 ASP H H 54 7.348 7.348 8.493 -1.145 18433 7490 1 17 . 1 1 55 55 ILE N N 55 122.004 122.004 120.214 1.790 18433 7491 1 17 . 1 1 55 55 ILE HA H 55 3.935 3.935 3.985 -0.050 18433 7492 1 17 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.886 1.645 18433 7493 1 17 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.282 -0.143 18433 7494 1 17 . 1 1 55 55 ILE H H 55 8.081 8.081 7.778 0.303 18433 7495 1 17 . 1 1 56 56 LEU N N 56 117.547 117.547 121.312 -3.765 18433 7496 1 17 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.130 0.020 18433 7497 1 17 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.300 -0.365 18433 7498 1 17 . 1 1 56 56 LEU CB C 56 40.977 40.977 40.289 0.688 18433 7499 1 17 . 1 1 56 56 LEU H H 56 8.770 8.770 8.422 0.348 18433 7500 1 17 . 1 1 57 57 GLN N N 57 119.917 119.917 117.766 2.151 18433 7501 1 17 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.049 0.017 18433 7502 1 17 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.990 1.381 18433 7503 1 17 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.317 -0.377 18433 7504 1 17 . 1 1 57 57 GLN H H 57 7.734 7.734 7.736 -0.002 18433 7505 1 17 . 1 1 58 58 VAL N N 58 122.347 122.347 118.356 3.991 18433 7506 1 17 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.869 -0.254 18433 7507 1 17 . 1 1 58 58 VAL CA C 58 67.230 67.230 64.845 2.385 18433 7508 1 17 . 1 1 58 58 VAL CB C 58 31.272 31.272 30.807 0.465 18433 7509 1 17 . 1 1 58 58 VAL H H 58 7.727 7.727 8.100 -0.373 18433 7510 1 17 . 1 1 59 59 VAL N N 59 121.131 121.131 121.437 -0.306 18433 7511 1 17 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.744 -0.338 18433 7512 1 17 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.869 1.179 18433 7513 1 17 . 1 1 59 59 VAL CB C 59 31.542 31.542 31.328 0.214 18433 7514 1 17 . 1 1 59 59 VAL H H 59 8.341 8.341 7.505 0.836 18433 7515 1 17 . 1 1 60 60 ARG N N 60 120.942 120.942 118.766 2.176 18433 7516 1 17 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.176 -0.061 18433 7517 1 17 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.583 -0.170 18433 7518 1 17 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.663 0.078 18433 7519 1 17 . 1 1 60 60 ARG H H 60 8.457 8.457 8.028 0.429 18433 7520 1 17 . 1 1 61 61 TYR N N 61 120.718 120.718 121.546 -0.828 18433 7521 1 17 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.324 0.242 18433 7522 1 17 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.627 -0.873 18433 7523 1 17 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.758 -0.405 18433 7524 1 17 . 1 1 61 61 TYR H H 61 7.833 7.833 7.543 0.290 18433 7525 1 17 . 1 1 62 62 CYS N N 62 114.924 114.924 117.548 -2.624 18433 7526 1 17 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.992 -0.319 18433 7527 1 17 . 1 1 62 62 CYS CA C 62 64.281 64.281 62.321 1.960 18433 7528 1 17 . 1 1 62 62 CYS CB C 62 27.717 27.717 27.189 0.528 18433 7529 1 17 . 1 1 62 62 CYS H H 62 8.079 8.079 8.290 -0.211 18433 7530 1 17 . 1 1 63 63 THR N N 63 114.103 114.103 113.452 0.651 18433 7531 1 17 . 1 1 63 63 THR HA H 63 3.852 3.852 3.992 -0.140 18433 7532 1 17 . 1 1 63 63 THR CA C 63 66.871 66.871 66.340 0.531 18433 7533 1 17 . 1 1 63 63 THR CB C 63 67.762 67.762 68.158 -0.396 18433 7534 1 17 . 1 1 63 63 THR H H 63 8.721 8.721 8.489 0.232 18433 7535 1 17 . 1 1 64 64 ASP N N 64 126.664 126.664 121.396 5.268 18433 7536 1 17 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.560 -0.139 18433 7537 1 17 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.771 1.013 18433 7538 1 17 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.165 -0.924 18433 7539 1 17 . 1 1 64 64 ASP H H 64 8.771 8.771 7.386 1.385 18433 7540 1 17 . 1 1 65 65 LEU N N 65 119.722 119.722 121.044 -1.322 18433 7541 1 17 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.974 -0.102 18433 7542 1 17 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.981 0.270 18433 7543 1 17 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.499 -0.009 18433 7544 1 17 . 1 1 65 65 LEU H H 65 7.850 7.850 7.506 0.344 18433 7545 1 17 . 1 1 66 66 ILE N N 66 119.189 119.189 119.422 -0.233 18433 7546 1 17 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.883 -0.485 18433 7547 1 17 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.731 0.467 18433 7548 1 17 . 1 1 66 66 ILE CB C 66 37.730 37.730 38.062 -0.332 18433 7549 1 17 . 1 1 66 66 ILE H H 66 7.636 7.636 7.493 0.143 18433 7550 1 17 . 1 1 67 67 GLU N N 67 123.166 123.166 118.439 4.727 18433 7551 1 17 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.079 -0.084 18433 7552 1 17 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.374 1.221 18433 7553 1 17 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.509 -0.327 18433 7554 1 17 . 1 1 67 67 GLU H H 67 8.512 8.512 7.769 0.743 18433 7555 1 17 . 1 1 68 68 GLU N N 68 116.524 116.524 117.072 -0.548 18433 7556 1 17 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.296 -0.001 18433 7557 1 17 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.149 -0.371 18433 7558 1 17 . 1 1 68 68 GLU CB C 68 29.535 29.535 29.687 -0.152 18433 7559 1 17 . 1 1 68 68 GLU H H 68 7.633 7.633 8.064 -0.431 18433 7560 1 17 . 1 1 69 69 LYS N N 69 116.625 116.625 115.213 1.412 18433 7561 1 17 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.114 -0.469 18433 7562 1 17 . 1 1 69 69 LYS CA C 69 57.369 57.369 57.085 0.284 18433 7563 1 17 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.549 0.251 18433 7564 1 17 . 1 1 69 69 LYS H H 69 8.066 8.066 7.880 0.186 18433 7565 1 17 . 1 1 70 70 ASP N N 70 122.727 122.727 118.859 3.868 18433 7566 1 17 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.885 0.155 18433 7567 1 17 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.446 -2.050 18433 7568 1 17 . 1 1 70 70 ASP CB C 70 38.761 38.761 40.972 -2.211 18433 7569 1 17 . 1 1 70 70 ASP H H 70 8.483 8.483 8.556 -0.073 18433 7570 1 17 . 1 1 71 71 LEU N N 71 119.712 119.712 120.483 -0.771 18433 7571 1 17 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.806 0.075 18433 7572 1 17 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.584 -1.071 18433 7573 1 17 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.127 -0.879 18433 7574 1 17 . 1 1 71 71 LEU H H 71 7.515 7.515 8.212 -0.697 18433 7575 1 17 . 1 1 72 72 GLU N N 72 121.320 121.320 120.011 1.309 18433 7576 1 17 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.852 0.196 18433 7577 1 17 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.479 0.027 18433 7578 1 17 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.250 0.069 18433 7579 1 17 . 1 1 72 72 GLU H H 72 8.561 8.561 8.595 -0.034 18433 7580 1 17 . 1 1 73 73 LYS N N 73 119.338 119.338 118.054 1.284 18433 7581 1 17 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.902 -0.165 18433 7582 1 17 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.345 1.163 18433 7583 1 17 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.282 0.087 18433 7584 1 17 . 1 1 73 73 LYS H H 73 7.448 7.448 7.594 -0.146 18433 7585 1 17 . 1 1 74 74 LEU N N 74 117.830 117.830 123.856 -6.026 18433 7586 1 17 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.029 -0.149 18433 7587 1 17 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.432 -0.490 18433 7588 1 17 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.741 -0.245 18433 7589 1 17 . 1 1 74 74 LEU H H 74 7.516 7.516 7.436 0.080 18433 7590 1 17 . 1 1 75 75 ASP N N 75 117.736 117.736 118.791 -1.055 18433 7591 1 17 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.383 -0.141 18433 7592 1 17 . 1 1 75 75 ASP CA C 75 57.852 57.852 57.557 0.295 18433 7593 1 17 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.728 1.595 18433 7594 1 17 . 1 1 75 75 ASP H H 75 7.828 7.828 8.021 -0.193 18433 7595 1 17 . 1 1 76 76 LEU N N 76 116.254 116.254 119.686 -3.432 18433 7596 1 17 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.153 -0.243 18433 7597 1 17 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.663 0.294 18433 7598 1 17 . 1 1 76 76 LEU CB C 76 41.827 41.827 41.960 -0.133 18433 7599 1 17 . 1 1 76 76 LEU H H 76 7.454 7.454 7.256 0.198 18433 7600 1 17 . 1 1 77 77 VAL N N 77 120.653 120.653 118.852 1.801 18433 7601 1 17 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.980 -0.016 18433 7602 1 17 . 1 1 77 77 VAL CA C 77 66.879 66.879 65.883 0.996 18433 7603 1 17 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.058 0.961 18433 7604 1 17 . 1 1 77 77 VAL H H 77 8.626 8.626 8.412 0.214 18433 7605 1 17 . 1 1 78 78 ILE N N 78 122.189 122.189 121.079 1.110 18433 7606 1 17 . 1 1 78 78 ILE HA H 78 3.986 3.986 4.006 -0.020 18433 7607 1 17 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.372 -0.532 18433 7608 1 17 . 1 1 78 78 ILE CB C 78 35.672 35.672 37.089 -1.417 18433 7609 1 17 . 1 1 78 78 ILE H H 78 8.755 8.755 9.014 -0.259 18433 7610 1 17 . 1 1 79 79 LYS N N 79 119.030 119.030 120.329 -1.299 18433 7611 1 17 . 1 1 79 79 LYS HA H 79 3.881 3.881 4.003 -0.122 18433 7612 1 17 . 1 1 79 79 LYS CA C 79 60.438 60.438 59.047 1.391 18433 7613 1 17 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.664 0.958 18433 7614 1 17 . 1 1 79 79 LYS H H 79 8.413 8.413 8.029 0.384 18433 7615 1 17 . 1 1 80 80 TYR N N 80 121.226 121.226 121.293 -0.067 18433 7616 1 17 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.251 0.057 18433 7617 1 17 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.398 0.606 18433 7618 1 17 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.387 -0.376 18433 7619 1 17 . 1 1 80 80 TYR H H 80 8.205 8.205 7.796 0.409 18433 7620 1 17 . 1 1 81 81 MET N N 81 116.428 116.428 117.639 -1.211 18433 7621 1 17 . 1 1 81 81 MET HA H 81 3.711 3.711 4.126 -0.415 18433 7622 1 17 . 1 1 81 81 MET CA C 81 60.733 60.733 58.895 1.838 18433 7623 1 17 . 1 1 81 81 MET CB C 81 33.894 33.894 32.929 0.965 18433 7624 1 17 . 1 1 81 81 MET H H 81 8.578 8.578 8.339 0.239 18433 7625 1 17 . 1 1 82 82 LYS N N 82 119.778 119.778 119.257 0.521 18433 7626 1 17 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.303 -0.610 18433 7627 1 17 . 1 1 82 82 LYS CA C 82 59.983 59.983 58.550 1.433 18433 7628 1 17 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.151 1.640 18433 7629 1 17 . 1 1 82 82 LYS H H 82 8.594 8.594 8.428 0.166 18433 7630 1 17 . 1 1 83 83 ARG N N 83 116.474 116.474 119.252 -2.778 18433 7631 1 17 . 1 1 83 83 ARG HA H 83 3.854 3.854 4.059 -0.205 18433 7632 1 17 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.515 -0.034 18433 7633 1 17 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.703 -0.101 18433 7634 1 17 . 1 1 83 83 ARG H H 83 7.145 7.145 7.350 -0.205 18433 7635 1 17 . 1 1 84 84 LEU N N 84 116.576 116.576 121.015 -4.439 18433 7636 1 17 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.922 -0.094 18433 7637 1 17 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.119 -0.185 18433 7638 1 17 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.902 1.137 18433 7639 1 17 . 1 1 84 84 LEU H H 84 7.284 7.284 7.061 0.223 18433 7640 1 17 . 1 1 85 85 MET N N 85 115.841 115.841 114.899 0.942 18433 7641 1 17 . 1 1 85 85 MET HA H 85 3.756 3.756 3.626 0.130 18433 7642 1 17 . 1 1 85 85 MET CA C 85 59.260 59.260 58.224 1.036 18433 7643 1 17 . 1 1 85 85 MET CB C 85 32.487 32.487 32.318 0.169 18433 7644 1 17 . 1 1 85 85 MET H H 85 8.683 8.683 7.868 0.815 18433 7645 1 17 . 1 1 86 86 GLN N N 86 114.640 114.640 114.485 0.155 18433 7646 1 17 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.130 0.231 18433 7647 1 17 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.442 -0.585 18433 7648 1 17 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.340 -1.710 18433 7649 1 17 . 1 1 86 86 GLN H H 86 7.513 7.513 7.490 0.023 18433 7650 1 17 . 1 1 87 87 GLN N N 87 117.352 117.352 116.923 0.429 18433 7651 1 17 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.113 0.109 18433 7652 1 17 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.754 -0.420 18433 7653 1 17 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.663 0.476 18433 7654 1 17 . 1 1 87 87 GLN H H 87 7.277 7.277 7.514 -0.237 18433 7655 1 17 . 1 1 88 88 SER N N 88 113.778 113.778 116.514 -2.736 18433 7656 1 17 . 1 1 88 88 SER HA H 88 4.431 4.431 4.250 0.181 18433 7657 1 17 . 1 1 88 88 SER CA C 88 58.372 58.372 59.652 -1.280 18433 7658 1 17 . 1 1 88 88 SER CB C 88 63.525 63.525 63.678 -0.153 18433 7659 1 17 . 1 1 88 88 SER H H 88 7.482 7.482 7.819 -0.337 18433 7660 1 17 . 1 1 89 89 VAL N N 89 120.934 120.934 118.617 2.317 18433 7661 1 17 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.155 0.008 18433 7662 1 17 . 1 1 89 89 VAL CA C 89 62.661 62.661 63.504 -0.843 18433 7663 1 17 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.858 -0.886 18433 7664 1 17 . 1 1 89 89 VAL H H 89 8.188 8.188 8.446 -0.258 18433 7665 1 17 . 1 1 90 90 GLU N N 90 120.714 120.714 120.204 0.510 18433 7666 1 17 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.431 0.010 18433 7667 1 17 . 1 1 90 90 GLU CA C 90 55.945 55.945 56.040 -0.095 18433 7668 1 17 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.584 0.023 18433 7669 1 17 . 1 1 90 90 GLU H H 90 8.411 8.411 8.206 0.205 18433 7670 1 17 . 1 1 91 91 SER HA H 91 4.451 4.451 4.277 0.174 18433 7671 1 17 . 1 1 91 91 SER CA C 91 59.681 59.681 61.018 -1.337 18433 7672 1 17 . 1 1 91 91 SER CB C 91 63.893 63.893 63.367 0.526 18433 7673 1 17 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.804 0.208 18433 7674 1 17 . 1 1 92 92 VAL CA C 92 64.738 64.738 64.348 0.390 18433 7675 1 17 . 1 1 92 92 VAL CB C 92 31.013 31.013 30.841 0.172 18433 7676 1 17 . 1 1 93 93 TRP N N 93 121.614 121.614 119.263 2.351 18433 7677 1 17 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.277 0.222 18433 7678 1 17 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.262 -0.586 18433 7679 1 17 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.099 0.758 18433 7680 1 17 . 1 1 93 93 TRP H H 93 7.551 7.551 7.422 0.129 18433 7681 1 17 . 1 1 94 94 ASN N N 94 119.013 119.013 117.450 1.563 18433 7682 1 17 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.519 -0.124 18433 7683 1 17 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.954 0.284 18433 7684 1 17 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.586 0.161 18433 7685 1 17 . 1 1 94 94 ASN H H 94 7.794 7.794 8.432 -0.638 18433 7686 1 17 . 1 1 95 95 MET N N 95 117.158 117.158 118.859 -1.701 18433 7687 1 17 . 1 1 95 95 MET HA H 95 4.346 4.346 4.363 -0.017 18433 7688 1 17 . 1 1 95 95 MET CA C 95 58.445 58.445 58.629 -0.184 18433 7689 1 17 . 1 1 95 95 MET CB C 95 32.436 32.436 32.521 -0.085 18433 7690 1 17 . 1 1 95 95 MET H H 95 7.751 7.751 7.508 0.243 18433 7691 1 17 . 1 1 96 96 ALA N N 96 123.406 123.406 122.952 0.454 18433 7692 1 17 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.138 0.069 18433 7693 1 17 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.280 0.165 18433 7694 1 17 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.145 -0.641 18433 7695 1 17 . 1 1 96 96 ALA H H 96 7.920 7.920 7.892 0.028 18433 7696 1 17 . 1 1 97 97 PHE N N 97 117.830 117.830 119.170 -1.340 18433 7697 1 17 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.359 -0.155 18433 7698 1 17 . 1 1 97 97 PHE CA C 97 62.853 62.853 60.345 2.508 18433 7699 1 17 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.033 -0.886 18433 7700 1 17 . 1 1 97 97 PHE H H 97 8.431 8.431 8.068 0.363 18433 7701 1 17 . 1 1 98 98 ASP N N 98 118.570 118.570 119.783 -1.213 18433 7702 1 17 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.103 0.145 18433 7703 1 17 . 1 1 98 98 ASP CA C 98 57.702 57.702 57.295 0.407 18433 7704 1 17 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.772 -0.372 18433 7705 1 17 . 1 1 98 98 ASP H H 98 7.805 7.805 7.753 0.052 18433 7706 1 17 . 1 1 99 99 PHE N N 99 119.874 119.874 120.951 -1.077 18433 7707 1 17 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.169 0.125 18433 7708 1 17 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.651 -0.468 18433 7709 1 17 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.287 0.195 18433 7710 1 17 . 1 1 99 99 PHE H H 99 7.920 7.920 8.070 -0.150 18433 7711 1 17 . 1 1 100 100 ILE N N 100 122.589 122.589 119.005 3.584 18433 7712 1 17 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.496 -0.093 18433 7713 1 17 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.478 0.619 18433 7714 1 17 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.962 0.730 18433 7715 1 17 . 1 1 100 100 ILE H H 100 8.573 8.573 7.853 0.720 18433 7716 1 17 . 1 1 101 101 LEU N N 101 119.531 119.531 120.179 -0.648 18433 7717 1 17 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.819 -0.105 18433 7718 1 17 . 1 1 101 101 LEU CA C 101 57.998 57.998 57.970 0.028 18433 7719 1 17 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.326 -0.619 18433 7720 1 17 . 1 1 101 101 LEU H H 101 8.716 8.716 7.489 1.227 18433 7721 1 17 . 1 1 102 102 ASP N N 102 118.371 118.371 119.190 -0.819 18433 7722 1 17 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.325 -0.074 18433 7723 1 17 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.822 0.671 18433 7724 1 17 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.776 0.003 18433 7725 1 17 . 1 1 102 102 ASP H H 102 8.343 8.343 8.245 0.098 18433 7726 1 17 . 1 1 103 103 ASN N N 103 115.409 115.409 115.446 -0.037 18433 7727 1 17 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.623 -0.490 18433 7728 1 17 . 1 1 103 103 ASN CA C 103 57.079 57.079 55.281 1.798 18433 7729 1 17 . 1 1 103 103 ASN CB C 103 39.990 39.990 39.884 0.106 18433 7730 1 17 . 1 1 103 103 ASN H H 103 7.393 7.393 7.261 0.132 18433 7731 1 17 . 1 1 104 104 VAL N N 104 119.972 119.972 122.132 -2.160 18433 7732 1 17 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.697 -0.280 18433 7733 1 17 . 1 1 104 104 VAL CA C 104 66.949 66.949 67.025 -0.076 18433 7734 1 17 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.840 -0.018 18433 7735 1 17 . 1 1 104 104 VAL H H 104 8.299 8.299 8.526 -0.227 18433 7736 1 17 . 1 1 105 105 GLN N N 105 118.449 118.449 118.123 0.326 18433 7737 1 17 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.954 0.440 18433 7738 1 17 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.727 0.293 18433 7739 1 17 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.829 0.761 18433 7740 1 17 . 1 1 105 105 GLN H H 105 8.763 8.763 7.983 0.780 18433 7741 1 17 . 1 1 106 106 VAL N N 106 118.643 118.643 119.810 -1.167 18433 7742 1 17 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.786 -0.072 18433 7743 1 17 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.276 0.132 18433 7744 1 17 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.359 0.338 18433 7745 1 17 . 1 1 106 106 VAL H H 106 7.607 7.607 7.619 -0.012 18433 7746 1 17 . 1 1 107 107 VAL N N 107 120.205 120.205 120.291 -0.086 18433 7747 1 17 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.750 -0.021 18433 7748 1 17 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.644 0.729 18433 7749 1 17 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.410 -0.092 18433 7750 1 17 . 1 1 107 107 VAL H H 107 7.329 7.329 7.379 -0.050 18433 7751 1 17 . 1 1 108 108 LEU N N 108 123.706 123.706 119.989 3.717 18433 7752 1 17 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.241 -0.218 18433 7753 1 17 . 1 1 108 108 LEU CA C 108 58.902 58.902 58.229 0.673 18433 7754 1 17 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.233 0.742 18433 7755 1 17 . 1 1 108 108 LEU H H 108 8.742 8.742 8.353 0.389 18433 7756 1 17 . 1 1 109 109 GLN N N 109 119.622 119.622 118.816 0.806 18433 7757 1 17 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.193 -0.212 18433 7758 1 17 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.969 0.097 18433 7759 1 17 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.669 -0.402 18433 7760 1 17 . 1 1 109 109 GLN H H 109 8.456 8.456 7.897 0.559 18433 7761 1 17 . 1 1 110 110 GLN N N 110 117.492 117.492 117.206 0.286 18433 7762 1 17 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.085 -0.011 18433 7763 1 17 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.135 -0.059 18433 7764 1 17 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.576 0.116 18433 7765 1 17 . 1 1 110 110 GLN H H 110 8.060 8.060 7.890 0.170 18433 7766 1 17 . 1 1 111 111 THR N N 111 112.944 112.944 113.423 -0.479 18433 7767 1 17 . 1 1 111 111 THR HA H 111 4.017 4.017 4.032 -0.015 18433 7768 1 17 . 1 1 111 111 THR CA C 111 65.020 65.020 64.698 0.322 18433 7769 1 17 . 1 1 111 111 THR CB C 111 69.543 69.543 69.575 -0.032 18433 7770 1 17 . 1 1 111 111 THR H H 111 7.934 7.934 7.438 0.496 18433 7771 1 17 . 1 1 112 112 TYR N N 112 118.273 118.273 118.064 0.209 18433 7772 1 17 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.602 0.095 18433 7773 1 17 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.652 -0.232 18433 7774 1 17 . 1 1 112 112 TYR CB C 112 40.341 40.341 39.636 0.705 18433 7775 1 17 . 1 1 112 112 TYR H H 112 8.404 8.404 8.238 0.166 18433 7776 1 17 . 1 1 113 113 GLY N N 113 109.593 109.593 106.586 3.007 18433 7777 1 17 . 1 1 113 113 GLY CA C 113 46.009 46.009 44.995 1.014 18433 7778 1 17 . 1 1 113 113 GLY H H 113 7.990 7.990 7.829 0.161 18433 7779 1 17 . 1 1 114 114 SER N N 114 113.965 113.965 114.353 -0.388 18433 7780 1 17 . 1 1 114 114 SER HA H 114 4.630 4.630 4.671 -0.041 18433 7781 1 17 . 1 1 114 114 SER CA C 114 57.356 57.356 57.072 0.284 18433 7782 1 17 . 1 1 114 114 SER CB C 114 64.543 64.543 63.797 0.746 18433 7783 1 17 . 1 1 114 114 SER H H 114 7.636 7.636 7.837 -0.201 18433 7784 1 17 . 1 1 115 115 THR N N 115 110.456 110.456 112.572 -2.116 18433 7785 1 17 . 1 1 115 115 THR HA H 115 4.406 4.406 4.633 -0.227 18433 7786 1 17 . 1 1 115 115 THR CA C 115 61.125 61.125 61.138 -0.013 18433 7787 1 17 . 1 1 115 115 THR CB C 115 70.288 70.288 70.979 -0.691 18433 7788 1 17 . 1 1 115 115 THR H H 115 7.828 7.828 8.006 -0.178 18433 7789 1 17 . 1 1 116 116 LEU N N 116 123.832 123.832 124.005 -0.173 18433 7790 1 17 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.338 -0.032 18433 7791 1 17 . 1 1 116 116 LEU CA C 116 54.883 54.883 55.751 -0.868 18433 7792 1 17 . 1 1 116 116 LEU CB C 116 42.795 42.795 43.007 -0.212 18433 7793 1 17 . 1 1 116 116 LEU H H 116 8.741 8.741 8.323 0.418 18433 7794 1 17 . 1 1 117 117 LYS N N 117 124.713 124.713 123.906 0.807 18433 7795 1 17 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.446 -0.033 18433 7796 1 17 . 1 1 117 117 LYS CA C 117 55.551 55.551 55.746 -0.195 18433 7797 1 17 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.391 1.160 18433 7798 1 17 . 1 1 117 117 LYS H H 117 8.479 8.479 8.658 -0.179 18433 7799 1 17 . 1 1 118 118 VAL N N 118 122.419 122.419 123.541 -1.122 18433 7800 1 17 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.601 -0.359 18433 7801 1 17 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.492 0.463 18433 7802 1 17 . 1 1 118 118 VAL CB C 118 32.837 32.837 31.459 1.378 18433 7803 1 17 . 1 1 118 118 VAL H H 118 8.268 8.268 8.501 -0.233 18433 7804 1 18 . 1 1 24 24 ALA N N 24 123.308 123.308 123.815 -0.507 18433 7805 1 18 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.839 -0.295 18433 7806 1 18 . 1 1 24 24 ALA CA C 24 50.311 50.311 50.382 -0.071 18433 7807 1 18 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.543 -0.946 18433 7808 1 18 . 1 1 24 24 ALA H H 24 7.820 7.820 8.183 -0.363 18433 7809 1 18 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.420 0.218 18433 7810 1 18 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.896 0.355 18433 7811 1 18 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.320 1.542 18433 7812 1 18 . 1 1 26 26 ASN N N 26 120.016 120.016 120.342 -0.326 18433 7813 1 18 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.582 -0.355 18433 7814 1 18 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.097 0.526 18433 7815 1 18 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.198 1.941 18433 7816 1 18 . 1 1 26 26 ASN H H 26 9.079 9.079 8.094 0.985 18433 7817 1 18 . 1 1 27 27 LEU N N 27 123.375 123.375 123.785 -0.410 18433 7818 1 18 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.453 -0.216 18433 7819 1 18 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.347 -1.044 18433 7820 1 18 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.903 -0.086 18433 7821 1 18 . 1 1 27 27 LEU H H 27 8.098 8.098 8.534 -0.436 18433 7822 1 18 . 1 1 28 28 ALA N N 28 126.889 126.889 130.239 -3.350 18433 7823 1 18 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.977 -0.303 18433 7824 1 18 . 1 1 28 28 ALA CA C 28 52.381 52.381 52.682 -0.301 18433 7825 1 18 . 1 1 28 28 ALA CB C 28 18.929 18.929 16.834 2.095 18433 7826 1 18 . 1 1 28 28 ALA H H 28 9.215 9.215 9.046 0.169 18433 7827 1 18 . 1 1 29 29 GLY N N 29 102.532 102.532 102.756 -0.224 18433 7828 1 18 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.759 0.079 18433 7829 1 18 . 1 1 29 29 GLY H H 29 7.943 7.943 8.401 -0.458 18433 7830 1 18 . 1 1 30 30 ALA N N 30 125.002 125.002 122.065 2.937 18433 7831 1 18 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.646 -0.395 18433 7832 1 18 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.709 1.439 18433 7833 1 18 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.504 -1.070 18433 7834 1 18 . 1 1 30 30 ALA H H 30 8.040 8.040 7.530 0.510 18433 7835 1 18 . 1 1 31 31 VAL N N 31 119.492 119.492 124.754 -5.262 18433 7836 1 18 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.154 0.114 18433 7837 1 18 . 1 1 31 31 VAL CA C 31 62.397 62.397 62.486 -0.090 18433 7838 1 18 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.429 2.529 18433 7839 1 18 . 1 1 31 31 VAL H H 31 8.415 8.415 8.660 -0.245 18433 7840 1 18 . 1 1 32 32 GLU N N 32 122.142 122.142 119.219 2.923 18433 7841 1 18 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.303 -0.029 18433 7842 1 18 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.445 -0.249 18433 7843 1 18 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.233 -0.894 18433 7844 1 18 . 1 1 32 32 GLU H H 32 8.757 8.757 8.011 0.746 18433 7845 1 18 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.201 0.054 18433 7846 1 18 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.926 -0.590 18433 7847 1 18 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.487 -0.843 18433 7848 1 18 . 1 1 34 34 SER N N 34 112.028 112.028 113.954 -1.926 18433 7849 1 18 . 1 1 34 34 SER HA H 34 3.652 3.652 3.741 -0.089 18433 7850 1 18 . 1 1 34 34 SER CA C 34 61.642 61.642 61.726 -0.084 18433 7851 1 18 . 1 1 34 34 SER CB C 34 61.807 61.807 62.339 -0.532 18433 7852 1 18 . 1 1 34 34 SER H H 34 8.902 8.902 8.572 0.330 18433 7853 1 18 . 1 1 35 35 ASP N N 35 121.321 121.321 119.107 2.214 18433 7854 1 18 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.474 0.024 18433 7855 1 18 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.670 -0.110 18433 7856 1 18 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.118 1.109 18433 7857 1 18 . 1 1 35 35 ASP H H 35 6.930 6.930 8.554 -1.624 18433 7858 1 18 . 1 1 36 36 VAL N N 36 123.532 123.532 119.711 3.821 18433 7859 1 18 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.564 -0.316 18433 7860 1 18 . 1 1 36 36 VAL CA C 36 67.358 67.358 64.817 2.541 18433 7861 1 18 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.328 0.764 18433 7862 1 18 . 1 1 36 36 VAL H H 36 8.014 8.014 7.386 0.628 18433 7863 1 18 . 1 1 37 37 LYS N N 37 118.036 118.036 118.118 -0.082 18433 7864 1 18 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.587 -0.120 18433 7865 1 18 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.421 0.828 18433 7866 1 18 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.464 0.845 18433 7867 1 18 . 1 1 37 37 LYS H H 37 8.384 8.384 7.834 0.550 18433 7868 1 18 . 1 1 38 38 THR N N 38 115.765 115.765 117.014 -1.249 18433 7869 1 18 . 1 1 38 38 THR HA H 38 3.872 3.872 4.043 -0.171 18433 7870 1 18 . 1 1 38 38 THR CA C 38 66.652 66.652 66.207 0.445 18433 7871 1 18 . 1 1 38 38 THR CB C 38 68.664 68.664 68.693 -0.029 18433 7872 1 18 . 1 1 38 38 THR H H 38 7.344 7.344 7.321 0.023 18433 7873 1 18 . 1 1 39 39 LEU N N 39 123.362 123.362 121.549 1.813 18433 7874 1 18 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.365 -0.018 18433 7875 1 18 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.565 0.692 18433 7876 1 18 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.730 1.576 18433 7877 1 18 . 1 1 39 39 LEU H H 39 7.701 7.701 7.310 0.391 18433 7878 1 18 . 1 1 40 40 LEU N N 40 118.128 118.128 119.789 -1.661 18433 7879 1 18 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.143 0.232 18433 7880 1 18 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.185 0.126 18433 7881 1 18 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.438 1.349 18433 7882 1 18 . 1 1 40 40 LEU H H 40 8.434 8.434 7.771 0.663 18433 7883 1 18 . 1 1 41 41 LYS N N 41 117.838 117.838 119.280 -1.442 18433 7884 1 18 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.853 0.009 18433 7885 1 18 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.876 0.021 18433 7886 1 18 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.637 -0.941 18433 7887 1 18 . 1 1 41 41 LYS H H 41 8.571 8.571 8.419 0.152 18433 7888 1 18 . 1 1 42 42 GLU N N 42 122.248 122.248 116.992 5.256 18433 7889 1 18 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.221 -0.330 18433 7890 1 18 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.199 1.747 18433 7891 1 18 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.431 0.172 18433 7892 1 18 . 1 1 42 42 GLU H H 42 8.276 8.276 7.780 0.496 18433 7893 1 18 . 1 1 43 43 TRP N N 43 123.115 123.115 121.921 1.194 18433 7894 1 18 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.460 -1.435 18433 7895 1 18 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.573 -1.768 18433 7896 1 18 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.393 -0.741 18433 7897 1 18 . 1 1 43 43 TRP H H 43 8.318 8.318 8.011 0.307 18433 7898 1 18 . 1 1 44 44 ILE N N 44 112.941 112.941 113.994 -1.053 18433 7899 1 18 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.419 -0.880 18433 7900 1 18 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.068 1.373 18433 7901 1 18 . 1 1 44 44 ILE CB C 44 38.393 38.393 38.273 0.120 18433 7902 1 18 . 1 1 44 44 ILE H H 44 7.567 7.567 7.428 0.139 18433 7903 1 18 . 1 1 45 45 THR N N 45 106.451 106.451 111.417 -4.966 18433 7904 1 18 . 1 1 45 45 THR HA H 45 4.080 4.080 4.295 -0.215 18433 7905 1 18 . 1 1 45 45 THR CA C 45 63.681 63.681 64.610 -0.929 18433 7906 1 18 . 1 1 45 45 THR CB C 45 70.147 70.147 69.580 0.567 18433 7907 1 18 . 1 1 45 45 THR H H 45 7.653 7.653 7.554 0.099 18433 7908 1 18 . 1 1 46 46 THR N N 46 110.600 110.600 117.416 -6.816 18433 7909 1 18 . 1 1 46 46 THR HA H 46 4.557 4.557 4.175 0.382 18433 7910 1 18 . 1 1 46 46 THR CA C 46 62.972 62.972 65.858 -2.886 18433 7911 1 18 . 1 1 46 46 THR CB C 46 71.039 71.039 69.370 1.669 18433 7912 1 18 . 1 1 46 46 THR H H 46 7.502 7.502 8.121 -0.619 18433 7913 1 18 . 1 1 47 47 ILE N N 47 124.370 124.370 121.765 2.605 18433 7914 1 18 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.340 0.133 18433 7915 1 18 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.397 -1.794 18433 7916 1 18 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.733 -4.232 18433 7917 1 18 . 1 1 47 47 ILE H H 47 7.533 7.533 7.348 0.185 18433 7918 1 18 . 1 1 48 48 SER N N 48 119.846 119.846 122.406 -2.560 18433 7919 1 18 . 1 1 48 48 SER HA H 48 4.498 4.498 4.655 -0.157 18433 7920 1 18 . 1 1 48 48 SER CA C 48 59.280 59.280 59.230 0.050 18433 7921 1 18 . 1 1 48 48 SER CB C 48 63.813 63.813 64.368 -0.555 18433 7922 1 18 . 1 1 48 48 SER H H 48 8.423 8.423 8.720 -0.297 18433 7923 1 18 . 1 1 49 49 ASP N N 49 119.475 119.475 123.979 -4.504 18433 7924 1 18 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.783 0.016 18433 7925 1 18 . 1 1 49 49 ASP CA C 49 50.804 50.804 51.364 -0.560 18433 7926 1 18 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.037 0.444 18433 7927 1 18 . 1 1 49 49 ASP H H 49 7.298 7.298 8.201 -0.903 18433 7928 1 18 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.479 -0.311 18433 7929 1 18 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.688 -0.776 18433 7930 1 18 . 1 1 50 50 PRO CB C 50 31.747 31.747 31.917 -0.170 18433 7931 1 18 . 1 1 51 51 MET N N 51 121.983 121.983 121.234 0.749 18433 7932 1 18 . 1 1 51 51 MET HA H 51 4.492 4.492 4.493 -0.001 18433 7933 1 18 . 1 1 51 51 MET CA C 51 55.165 55.165 54.708 0.458 18433 7934 1 18 . 1 1 51 51 MET CB C 51 33.974 33.974 33.712 0.262 18433 7935 1 18 . 1 1 51 51 MET H H 51 9.258 9.258 8.237 1.021 18433 7936 1 18 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.883 -0.051 18433 7937 1 18 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.128 0.371 18433 7938 1 18 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.104 0.619 18433 7939 1 18 . 1 1 53 53 GLU N N 53 116.755 116.755 118.541 -1.786 18433 7940 1 18 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.118 -0.053 18433 7941 1 18 . 1 1 53 53 GLU CA C 53 60.171 60.171 60.024 0.147 18433 7942 1 18 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.866 0.778 18433 7943 1 18 . 1 1 53 53 GLU H H 53 9.834 9.834 8.769 1.065 18433 7944 1 18 . 1 1 54 54 ASP N N 54 117.972 117.972 118.491 -0.519 18433 7945 1 18 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.415 0.583 18433 7946 1 18 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.020 1.040 18433 7947 1 18 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.393 1.873 18433 7948 1 18 . 1 1 54 54 ASP H H 54 7.348 7.348 8.396 -1.048 18433 7949 1 18 . 1 1 55 55 ILE N N 55 122.004 122.004 120.325 1.679 18433 7950 1 18 . 1 1 55 55 ILE HA H 55 3.935 3.935 4.033 -0.098 18433 7951 1 18 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.906 1.625 18433 7952 1 18 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.316 -0.177 18433 7953 1 18 . 1 1 55 55 ILE H H 55 8.081 8.081 7.739 0.342 18433 7954 1 18 . 1 1 56 56 LEU N N 56 117.547 117.547 120.904 -3.357 18433 7955 1 18 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.131 0.019 18433 7956 1 18 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.392 -0.457 18433 7957 1 18 . 1 1 56 56 LEU CB C 56 40.977 40.977 40.319 0.658 18433 7958 1 18 . 1 1 56 56 LEU H H 56 8.770 8.770 8.810 -0.040 18433 7959 1 18 . 1 1 57 57 GLN N N 57 119.917 119.917 117.573 2.344 18433 7960 1 18 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.044 0.022 18433 7961 1 18 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.858 1.513 18433 7962 1 18 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.264 -0.324 18433 7963 1 18 . 1 1 57 57 GLN H H 57 7.734 7.734 7.726 0.008 18433 7964 1 18 . 1 1 58 58 VAL N N 58 122.347 122.347 118.277 4.070 18433 7965 1 18 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.824 -0.209 18433 7966 1 18 . 1 1 58 58 VAL CA C 58 67.230 67.230 65.676 1.554 18433 7967 1 18 . 1 1 58 58 VAL CB C 58 31.272 31.272 31.449 -0.177 18433 7968 1 18 . 1 1 58 58 VAL H H 58 7.727 7.727 8.095 -0.368 18433 7969 1 18 . 1 1 59 59 VAL N N 59 121.131 121.131 121.490 -0.359 18433 7970 1 18 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.669 -0.263 18433 7971 1 18 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.846 1.202 18433 7972 1 18 . 1 1 59 59 VAL CB C 59 31.542 31.542 31.536 0.006 18433 7973 1 18 . 1 1 59 59 VAL H H 59 8.341 8.341 7.718 0.623 18433 7974 1 18 . 1 1 60 60 ARG N N 60 120.942 120.942 118.190 2.752 18433 7975 1 18 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.137 -0.022 18433 7976 1 18 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.554 -0.141 18433 7977 1 18 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.547 0.194 18433 7978 1 18 . 1 1 60 60 ARG H H 60 8.457 8.457 8.129 0.328 18433 7979 1 18 . 1 1 61 61 TYR N N 61 120.718 120.718 121.469 -0.751 18433 7980 1 18 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.324 0.242 18433 7981 1 18 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.448 -0.694 18433 7982 1 18 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.760 -0.407 18433 7983 1 18 . 1 1 61 61 TYR H H 61 7.833 7.833 7.500 0.333 18433 7984 1 18 . 1 1 62 62 CYS N N 62 114.924 114.924 117.820 -2.896 18433 7985 1 18 . 1 1 62 62 CYS HA H 62 3.673 3.673 4.039 -0.366 18433 7986 1 18 . 1 1 62 62 CYS CA C 62 64.281 64.281 62.731 1.550 18433 7987 1 18 . 1 1 62 62 CYS CB C 62 27.717 27.717 27.343 0.374 18433 7988 1 18 . 1 1 62 62 CYS H H 62 8.079 8.079 8.197 -0.118 18433 7989 1 18 . 1 1 63 63 THR N N 63 114.103 114.103 113.611 0.492 18433 7990 1 18 . 1 1 63 63 THR HA H 63 3.852 3.852 4.008 -0.156 18433 7991 1 18 . 1 1 63 63 THR CA C 63 66.871 66.871 66.120 0.751 18433 7992 1 18 . 1 1 63 63 THR CB C 63 67.762 67.762 68.284 -0.521 18433 7993 1 18 . 1 1 63 63 THR H H 63 8.721 8.721 8.631 0.090 18433 7994 1 18 . 1 1 64 64 ASP N N 64 126.664 126.664 121.117 5.547 18433 7995 1 18 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.506 -0.085 18433 7996 1 18 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.906 0.878 18433 7997 1 18 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.281 -1.040 18433 7998 1 18 . 1 1 64 64 ASP H H 64 8.771 8.771 7.483 1.288 18433 7999 1 18 . 1 1 65 65 LEU N N 65 119.722 119.722 121.263 -1.541 18433 8000 1 18 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.963 -0.091 18433 8001 1 18 . 1 1 65 65 LEU CA C 65 58.251 58.251 58.019 0.232 18433 8002 1 18 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.526 -0.036 18433 8003 1 18 . 1 1 65 65 LEU H H 65 7.850 7.850 7.553 0.297 18433 8004 1 18 . 1 1 66 66 ILE N N 66 119.189 119.189 119.583 -0.394 18433 8005 1 18 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.906 -0.508 18433 8006 1 18 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.552 0.646 18433 8007 1 18 . 1 1 66 66 ILE CB C 66 37.730 37.730 38.010 -0.280 18433 8008 1 18 . 1 1 66 66 ILE H H 66 7.636 7.636 7.415 0.221 18433 8009 1 18 . 1 1 67 67 GLU N N 67 123.166 123.166 117.955 5.211 18433 8010 1 18 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.086 -0.091 18433 8011 1 18 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.146 1.449 18433 8012 1 18 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.539 -0.356 18433 8013 1 18 . 1 1 67 67 GLU H H 67 8.512 8.512 7.959 0.553 18433 8014 1 18 . 1 1 68 68 GLU N N 68 116.524 116.524 116.562 -0.038 18433 8015 1 18 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.329 -0.034 18433 8016 1 18 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.062 -0.284 18433 8017 1 18 . 1 1 68 68 GLU CB C 68 29.535 29.535 29.745 -0.211 18433 8018 1 18 . 1 1 68 68 GLU H H 68 7.633 7.633 8.012 -0.379 18433 8019 1 18 . 1 1 69 69 LYS N N 69 116.625 116.625 115.746 0.879 18433 8020 1 18 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.146 -0.501 18433 8021 1 18 . 1 1 69 69 LYS CA C 69 57.369 57.369 57.219 0.150 18433 8022 1 18 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.378 0.421 18433 8023 1 18 . 1 1 69 69 LYS H H 69 8.066 8.066 7.733 0.333 18433 8024 1 18 . 1 1 70 70 ASP N N 70 122.727 122.727 118.614 4.113 18433 8025 1 18 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.851 0.189 18433 8026 1 18 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.749 -2.353 18433 8027 1 18 . 1 1 70 70 ASP CB C 70 38.761 38.761 41.410 -2.649 18433 8028 1 18 . 1 1 70 70 ASP H H 70 8.483 8.483 8.446 0.037 18433 8029 1 18 . 1 1 71 71 LEU N N 71 119.712 119.712 119.894 -0.182 18433 8030 1 18 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.877 0.004 18433 8031 1 18 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.405 -0.893 18433 8032 1 18 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.098 -0.851 18433 8033 1 18 . 1 1 71 71 LEU H H 71 7.515 7.515 8.166 -0.651 18433 8034 1 18 . 1 1 72 72 GLU N N 72 121.320 121.320 119.578 1.742 18433 8035 1 18 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.881 0.167 18433 8036 1 18 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.357 0.149 18433 8037 1 18 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.054 0.265 18433 8038 1 18 . 1 1 72 72 GLU H H 72 8.561 8.561 8.519 0.042 18433 8039 1 18 . 1 1 73 73 LYS N N 73 119.338 119.338 117.925 1.413 18433 8040 1 18 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.940 -0.203 18433 8041 1 18 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.130 1.378 18433 8042 1 18 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.137 0.232 18433 8043 1 18 . 1 1 73 73 LYS H H 73 7.448 7.448 7.528 -0.080 18433 8044 1 18 . 1 1 74 74 LEU N N 74 117.830 117.830 123.708 -5.878 18433 8045 1 18 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.035 -0.155 18433 8046 1 18 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.714 -0.772 18433 8047 1 18 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.816 -0.320 18433 8048 1 18 . 1 1 74 74 LEU H H 74 7.516 7.516 7.485 0.031 18433 8049 1 18 . 1 1 75 75 ASP N N 75 117.736 117.736 118.753 -1.017 18433 8050 1 18 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.445 -0.203 18433 8051 1 18 . 1 1 75 75 ASP CA C 75 57.852 57.852 58.326 -0.474 18433 8052 1 18 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.675 1.648 18433 8053 1 18 . 1 1 75 75 ASP H H 75 7.828 7.828 7.943 -0.115 18433 8054 1 18 . 1 1 76 76 LEU N N 76 116.254 116.254 120.004 -3.750 18433 8055 1 18 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.173 -0.263 18433 8056 1 18 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.743 0.214 18433 8057 1 18 . 1 1 76 76 LEU CB C 76 41.827 41.827 41.868 -0.041 18433 8058 1 18 . 1 1 76 76 LEU H H 76 7.454 7.454 7.335 0.119 18433 8059 1 18 . 1 1 77 77 VAL N N 77 120.653 120.653 119.169 1.484 18433 8060 1 18 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.899 0.065 18433 8061 1 18 . 1 1 77 77 VAL CA C 77 66.879 66.879 65.988 0.891 18433 8062 1 18 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.126 0.893 18433 8063 1 18 . 1 1 77 77 VAL H H 77 8.626 8.626 8.653 -0.027 18433 8064 1 18 . 1 1 78 78 ILE N N 78 122.189 122.189 120.637 1.552 18433 8065 1 18 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.953 0.033 18433 8066 1 18 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.704 -0.863 18433 8067 1 18 . 1 1 78 78 ILE CB C 78 35.672 35.672 37.016 -1.344 18433 8068 1 18 . 1 1 78 78 ILE H H 78 8.755 8.755 8.914 -0.159 18433 8069 1 18 . 1 1 79 79 LYS N N 79 119.030 119.030 120.118 -1.088 18433 8070 1 18 . 1 1 79 79 LYS HA H 79 3.881 3.881 4.004 -0.123 18433 8071 1 18 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.988 1.450 18433 8072 1 18 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.662 0.960 18433 8073 1 18 . 1 1 79 79 LYS H H 79 8.413 8.413 7.985 0.428 18433 8074 1 18 . 1 1 80 80 TYR N N 80 121.226 121.226 121.402 -0.176 18433 8075 1 18 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.262 0.046 18433 8076 1 18 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.292 0.712 18433 8077 1 18 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.352 -0.341 18433 8078 1 18 . 1 1 80 80 TYR H H 80 8.205 8.205 7.726 0.479 18433 8079 1 18 . 1 1 81 81 MET N N 81 116.428 116.428 117.757 -1.329 18433 8080 1 18 . 1 1 81 81 MET HA H 81 3.711 3.711 4.151 -0.440 18433 8081 1 18 . 1 1 81 81 MET CA C 81 60.733 60.733 58.940 1.794 18433 8082 1 18 . 1 1 81 81 MET CB C 81 33.894 33.894 32.962 0.933 18433 8083 1 18 . 1 1 81 81 MET H H 81 8.578 8.578 8.684 -0.106 18433 8084 1 18 . 1 1 82 82 LYS N N 82 119.778 119.778 119.211 0.567 18433 8085 1 18 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.358 -0.665 18433 8086 1 18 . 1 1 82 82 LYS CA C 82 59.983 59.983 58.562 1.421 18433 8087 1 18 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.035 1.756 18433 8088 1 18 . 1 1 82 82 LYS H H 82 8.594 8.594 8.394 0.200 18433 8089 1 18 . 1 1 83 83 ARG N N 83 116.474 116.474 119.472 -2.998 18433 8090 1 18 . 1 1 83 83 ARG HA H 83 3.854 3.854 4.053 -0.199 18433 8091 1 18 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.527 -0.046 18433 8092 1 18 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.649 -0.047 18433 8093 1 18 . 1 1 83 83 ARG H H 83 7.145 7.145 7.368 -0.223 18433 8094 1 18 . 1 1 84 84 LEU N N 84 116.576 116.576 120.863 -4.287 18433 8095 1 18 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.939 -0.111 18433 8096 1 18 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.127 -0.193 18433 8097 1 18 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.900 1.139 18433 8098 1 18 . 1 1 84 84 LEU H H 84 7.284 7.284 7.067 0.217 18433 8099 1 18 . 1 1 85 85 MET N N 85 115.841 115.841 115.308 0.533 18433 8100 1 18 . 1 1 85 85 MET HA H 85 3.756 3.756 3.672 0.084 18433 8101 1 18 . 1 1 85 85 MET CA C 85 59.260 59.260 58.501 0.759 18433 8102 1 18 . 1 1 85 85 MET CB C 85 32.487 32.487 32.426 0.061 18433 8103 1 18 . 1 1 85 85 MET H H 85 8.683 8.683 7.809 0.874 18433 8104 1 18 . 1 1 86 86 GLN N N 86 114.640 114.640 114.669 -0.029 18433 8105 1 18 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.282 0.079 18433 8106 1 18 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.576 -0.719 18433 8107 1 18 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.372 -1.742 18433 8108 1 18 . 1 1 86 86 GLN H H 86 7.513 7.513 7.478 0.035 18433 8109 1 18 . 1 1 87 87 GLN N N 87 117.352 117.352 117.108 0.244 18433 8110 1 18 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.134 0.088 18433 8111 1 18 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.598 -0.264 18433 8112 1 18 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.618 0.521 18433 8113 1 18 . 1 1 87 87 GLN H H 87 7.277 7.277 7.564 -0.287 18433 8114 1 18 . 1 1 88 88 SER N N 88 113.778 113.778 116.277 -2.499 18433 8115 1 18 . 1 1 88 88 SER HA H 88 4.431 4.431 4.253 0.178 18433 8116 1 18 . 1 1 88 88 SER CA C 88 58.372 58.372 59.653 -1.281 18433 8117 1 18 . 1 1 88 88 SER CB C 88 63.525 63.525 63.945 -0.420 18433 8118 1 18 . 1 1 88 88 SER H H 88 7.482 7.482 7.720 -0.238 18433 8119 1 18 . 1 1 89 89 VAL N N 89 120.934 120.934 115.808 5.126 18433 8120 1 18 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.225 -0.062 18433 8121 1 18 . 1 1 89 89 VAL CA C 89 62.661 62.661 63.536 -0.875 18433 8122 1 18 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.519 -0.547 18433 8123 1 18 . 1 1 89 89 VAL H H 89 8.188 8.188 8.440 -0.252 18433 8124 1 18 . 1 1 90 90 GLU N N 90 120.714 120.714 121.054 -0.340 18433 8125 1 18 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.516 -0.075 18433 8126 1 18 . 1 1 90 90 GLU CA C 90 55.945 55.945 55.635 0.311 18433 8127 1 18 . 1 1 90 90 GLU CB C 90 29.607 29.607 30.073 -0.466 18433 8128 1 18 . 1 1 90 90 GLU H H 90 8.411 8.411 8.147 0.264 18433 8129 1 18 . 1 1 91 91 SER HA H 91 4.451 4.451 4.333 0.118 18433 8130 1 18 . 1 1 91 91 SER CA C 91 59.681 59.681 61.194 -1.513 18433 8131 1 18 . 1 1 91 91 SER CB C 91 63.893 63.893 63.366 0.527 18433 8132 1 18 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.719 0.293 18433 8133 1 18 . 1 1 92 92 VAL CA C 92 64.738 64.738 65.054 -0.316 18433 8134 1 18 . 1 1 92 92 VAL CB C 92 31.013 31.013 31.405 -0.392 18433 8135 1 18 . 1 1 93 93 TRP N N 93 121.614 121.614 118.850 2.764 18433 8136 1 18 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.377 0.122 18433 8137 1 18 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.048 -0.372 18433 8138 1 18 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.528 0.329 18433 8139 1 18 . 1 1 93 93 TRP H H 93 7.551 7.551 7.492 0.059 18433 8140 1 18 . 1 1 94 94 ASN N N 94 119.013 119.013 117.998 1.015 18433 8141 1 18 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.500 -0.105 18433 8142 1 18 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.903 0.335 18433 8143 1 18 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.570 0.177 18433 8144 1 18 . 1 1 94 94 ASN H H 94 7.794 7.794 8.121 -0.327 18433 8145 1 18 . 1 1 95 95 MET N N 95 117.158 117.158 118.271 -1.113 18433 8146 1 18 . 1 1 95 95 MET HA H 95 4.346 4.346 4.394 -0.048 18433 8147 1 18 . 1 1 95 95 MET CA C 95 58.445 58.445 58.885 -0.440 18433 8148 1 18 . 1 1 95 95 MET CB C 95 32.436 32.436 32.432 0.004 18433 8149 1 18 . 1 1 95 95 MET H H 95 7.751 7.751 7.589 0.162 18433 8150 1 18 . 1 1 96 96 ALA N N 96 123.406 123.406 123.283 0.123 18433 8151 1 18 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.148 0.059 18433 8152 1 18 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.251 0.194 18433 8153 1 18 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.117 -0.612 18433 8154 1 18 . 1 1 96 96 ALA H H 96 7.920 7.920 7.625 0.295 18433 8155 1 18 . 1 1 97 97 PHE N N 97 117.830 117.830 119.480 -1.650 18433 8156 1 18 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.321 -0.117 18433 8157 1 18 . 1 1 97 97 PHE CA C 97 62.853 62.853 60.522 2.331 18433 8158 1 18 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.007 -0.860 18433 8159 1 18 . 1 1 97 97 PHE H H 97 8.431 8.431 8.129 0.302 18433 8160 1 18 . 1 1 98 98 ASP N N 98 118.570 118.570 119.766 -1.196 18433 8161 1 18 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.061 0.187 18433 8162 1 18 . 1 1 98 98 ASP CA C 98 57.702 57.702 56.744 0.958 18433 8163 1 18 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.538 -0.138 18433 8164 1 18 . 1 1 98 98 ASP H H 98 7.805 7.805 7.814 -0.009 18433 8165 1 18 . 1 1 99 99 PHE N N 99 119.874 119.874 120.924 -1.050 18433 8166 1 18 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.138 0.156 18433 8167 1 18 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.544 -0.361 18433 8168 1 18 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.234 0.248 18433 8169 1 18 . 1 1 99 99 PHE H H 99 7.920 7.920 8.003 -0.083 18433 8170 1 18 . 1 1 100 100 ILE N N 100 122.589 122.589 119.041 3.548 18433 8171 1 18 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.502 -0.099 18433 8172 1 18 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.502 0.595 18433 8173 1 18 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.970 0.722 18433 8174 1 18 . 1 1 100 100 ILE H H 100 8.573 8.573 7.915 0.658 18433 8175 1 18 . 1 1 101 101 LEU N N 101 119.531 119.531 120.374 -0.843 18433 8176 1 18 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.781 -0.067 18433 8177 1 18 . 1 1 101 101 LEU CA C 101 57.998 57.998 58.192 -0.194 18433 8178 1 18 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.230 -0.523 18433 8179 1 18 . 1 1 101 101 LEU H H 101 8.716 8.716 7.670 1.046 18433 8180 1 18 . 1 1 102 102 ASP N N 102 118.371 118.371 118.085 0.286 18433 8181 1 18 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.335 -0.084 18433 8182 1 18 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.744 0.749 18433 8183 1 18 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.660 0.119 18433 8184 1 18 . 1 1 102 102 ASP H H 102 8.343 8.343 8.308 0.035 18433 8185 1 18 . 1 1 103 103 ASN N N 103 115.409 115.409 116.518 -1.109 18433 8186 1 18 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.635 -0.502 18433 8187 1 18 . 1 1 103 103 ASN CA C 103 57.079 57.079 54.864 2.215 18433 8188 1 18 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.532 -0.542 18433 8189 1 18 . 1 1 103 103 ASN H H 103 7.393 7.393 7.306 0.087 18433 8190 1 18 . 1 1 104 104 VAL N N 104 119.972 119.972 121.930 -1.958 18433 8191 1 18 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.748 -0.331 18433 8192 1 18 . 1 1 104 104 VAL CA C 104 66.949 66.949 66.840 0.109 18433 8193 1 18 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.385 0.437 18433 8194 1 18 . 1 1 104 104 VAL H H 104 8.299 8.299 8.643 -0.344 18433 8195 1 18 . 1 1 105 105 GLN N N 105 118.449 118.449 117.991 0.458 18433 8196 1 18 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.998 0.396 18433 8197 1 18 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.747 0.273 18433 8198 1 18 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.835 0.755 18433 8199 1 18 . 1 1 105 105 GLN H H 105 8.763 8.763 8.162 0.601 18433 8200 1 18 . 1 1 106 106 VAL N N 106 118.643 118.643 119.939 -1.296 18433 8201 1 18 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.750 -0.036 18433 8202 1 18 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.129 0.279 18433 8203 1 18 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.564 0.133 18433 8204 1 18 . 1 1 106 106 VAL H H 106 7.607 7.607 7.628 -0.021 18433 8205 1 18 . 1 1 107 107 VAL N N 107 120.205 120.205 119.755 0.450 18433 8206 1 18 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.686 0.043 18433 8207 1 18 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.807 0.566 18433 8208 1 18 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.767 -0.449 18433 8209 1 18 . 1 1 107 107 VAL H H 107 7.329 7.329 7.303 0.025 18433 8210 1 18 . 1 1 108 108 LEU N N 108 123.706 123.706 120.187 3.519 18433 8211 1 18 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.205 -0.182 18433 8212 1 18 . 1 1 108 108 LEU CA C 108 58.902 58.902 58.316 0.586 18433 8213 1 18 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.504 0.471 18433 8214 1 18 . 1 1 108 108 LEU H H 108 8.742 8.742 8.618 0.124 18433 8215 1 18 . 1 1 109 109 GLN N N 109 119.622 119.622 118.958 0.664 18433 8216 1 18 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.136 -0.155 18433 8217 1 18 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.830 0.237 18433 8218 1 18 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.738 -0.471 18433 8219 1 18 . 1 1 109 109 GLN H H 109 8.456 8.456 7.898 0.558 18433 8220 1 18 . 1 1 110 110 GLN N N 110 117.492 117.492 117.480 0.012 18433 8221 1 18 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.069 0.005 18433 8222 1 18 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.186 -0.110 18433 8223 1 18 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.567 0.125 18433 8224 1 18 . 1 1 110 110 GLN H H 110 8.060 8.060 7.861 0.199 18433 8225 1 18 . 1 1 111 111 THR N N 111 112.944 112.944 113.463 -0.519 18433 8226 1 18 . 1 1 111 111 THR HA H 111 4.017 4.017 4.036 -0.019 18433 8227 1 18 . 1 1 111 111 THR CA C 111 65.020 65.020 64.896 0.124 18433 8228 1 18 . 1 1 111 111 THR CB C 111 69.543 69.543 69.368 0.174 18433 8229 1 18 . 1 1 111 111 THR H H 111 7.934 7.934 7.455 0.479 18433 8230 1 18 . 1 1 112 112 TYR N N 112 118.273 118.273 117.460 0.813 18433 8231 1 18 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.667 0.030 18433 8232 1 18 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.802 -0.382 18433 8233 1 18 . 1 1 112 112 TYR CB C 112 40.341 40.341 39.577 0.764 18433 8234 1 18 . 1 1 112 112 TYR H H 112 8.404 8.404 8.370 0.034 18433 8235 1 18 . 1 1 113 113 GLY N N 113 109.593 109.593 106.153 3.440 18433 8236 1 18 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.040 0.969 18433 8237 1 18 . 1 1 113 113 GLY H H 113 7.990 7.990 7.913 0.077 18433 8238 1 18 . 1 1 114 114 SER N N 114 113.965 113.965 115.403 -1.438 18433 8239 1 18 . 1 1 114 114 SER HA H 114 4.630 4.630 4.678 -0.048 18433 8240 1 18 . 1 1 114 114 SER CA C 114 57.356 57.356 57.524 -0.168 18433 8241 1 18 . 1 1 114 114 SER CB C 114 64.543 64.543 64.402 0.141 18433 8242 1 18 . 1 1 114 114 SER H H 114 7.636 7.636 8.066 -0.430 18433 8243 1 18 . 1 1 115 115 THR N N 115 110.456 110.456 110.314 0.142 18433 8244 1 18 . 1 1 115 115 THR HA H 115 4.406 4.406 4.623 -0.217 18433 8245 1 18 . 1 1 115 115 THR CA C 115 61.125 61.125 60.822 0.304 18433 8246 1 18 . 1 1 115 115 THR CB C 115 70.288 70.288 71.227 -0.939 18433 8247 1 18 . 1 1 115 115 THR H H 115 7.828 7.828 7.920 -0.092 18433 8248 1 18 . 1 1 116 116 LEU N N 116 123.832 123.832 122.048 1.784 18433 8249 1 18 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.540 -0.234 18433 8250 1 18 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.530 0.353 18433 8251 1 18 . 1 1 116 116 LEU CB C 116 42.795 42.795 44.008 -1.213 18433 8252 1 18 . 1 1 116 116 LEU H H 116 8.741 8.741 8.440 0.301 18433 8253 1 18 . 1 1 117 117 LYS N N 117 124.713 124.713 125.593 -0.880 18433 8254 1 18 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.397 0.016 18433 8255 1 18 . 1 1 117 117 LYS CA C 117 55.551 55.551 55.933 -0.382 18433 8256 1 18 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.173 1.378 18433 8257 1 18 . 1 1 117 117 LYS H H 117 8.479 8.479 8.612 -0.133 18433 8258 1 18 . 1 1 118 118 VAL N N 118 122.419 122.419 123.489 -1.070 18433 8259 1 18 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.644 -0.402 18433 8260 1 18 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.477 0.478 18433 8261 1 18 . 1 1 118 118 VAL CB C 118 32.837 32.837 32.443 0.394 18433 8262 1 18 . 1 1 118 118 VAL H H 118 8.268 8.268 8.285 -0.017 18433 8263 1 19 . 1 1 24 24 ALA N N 24 123.308 123.308 124.027 -0.719 18433 8264 1 19 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.714 -0.170 18433 8265 1 19 . 1 1 24 24 ALA CA C 24 50.311 50.311 49.904 0.407 18433 8266 1 19 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.578 -0.981 18433 8267 1 19 . 1 1 24 24 ALA H H 24 7.820 7.820 7.904 -0.084 18433 8268 1 19 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.422 0.216 18433 8269 1 19 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.941 0.310 18433 8270 1 19 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.450 1.412 18433 8271 1 19 . 1 1 26 26 ASN N N 26 120.016 120.016 120.592 -0.576 18433 8272 1 19 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.563 -0.336 18433 8273 1 19 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.089 0.534 18433 8274 1 19 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.044 2.095 18433 8275 1 19 . 1 1 26 26 ASN H H 26 9.079 9.079 8.091 0.988 18433 8276 1 19 . 1 1 27 27 LEU N N 27 123.375 123.375 124.096 -0.721 18433 8277 1 19 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.493 -0.256 18433 8278 1 19 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.043 -0.740 18433 8279 1 19 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.612 0.205 18433 8280 1 19 . 1 1 27 27 LEU H H 27 8.098 8.098 8.485 -0.387 18433 8281 1 19 . 1 1 28 28 ALA N N 28 126.889 126.889 129.591 -2.702 18433 8282 1 19 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.955 -0.281 18433 8283 1 19 . 1 1 28 28 ALA CA C 28 52.381 52.381 52.628 -0.247 18433 8284 1 19 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.075 1.854 18433 8285 1 19 . 1 1 28 28 ALA H H 28 9.215 9.215 8.993 0.222 18433 8286 1 19 . 1 1 29 29 GLY N N 29 102.532 102.532 101.702 0.830 18433 8287 1 19 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.718 0.120 18433 8288 1 19 . 1 1 29 29 GLY H H 29 7.943 7.943 8.304 -0.361 18433 8289 1 19 . 1 1 30 30 ALA N N 30 125.002 125.002 121.978 3.024 18433 8290 1 19 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.849 -0.598 18433 8291 1 19 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.588 1.560 18433 8292 1 19 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.560 -1.126 18433 8293 1 19 . 1 1 30 30 ALA H H 30 8.040 8.040 7.596 0.444 18433 8294 1 19 . 1 1 31 31 VAL N N 31 119.492 119.492 124.614 -5.122 18433 8295 1 19 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.111 0.157 18433 8296 1 19 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.467 -1.070 18433 8297 1 19 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.653 2.305 18433 8298 1 19 . 1 1 31 31 VAL H H 31 8.415 8.415 8.671 -0.256 18433 8299 1 19 . 1 1 32 32 GLU N N 32 122.142 122.142 119.135 3.007 18433 8300 1 19 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.319 -0.045 18433 8301 1 19 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.127 0.069 18433 8302 1 19 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.428 -1.089 18433 8303 1 19 . 1 1 32 32 GLU H H 32 8.757 8.757 7.913 0.844 18433 8304 1 19 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.228 0.027 18433 8305 1 19 . 1 1 33 33 PHE CA C 33 61.336 61.336 62.091 -0.755 18433 8306 1 19 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.490 -0.846 18433 8307 1 19 . 1 1 34 34 SER N N 34 112.028 112.028 113.429 -1.401 18433 8308 1 19 . 1 1 34 34 SER HA H 34 3.652 3.652 3.645 0.007 18433 8309 1 19 . 1 1 34 34 SER CA C 34 61.642 61.642 61.340 0.302 18433 8310 1 19 . 1 1 34 34 SER CB C 34 61.807 61.807 62.209 -0.402 18433 8311 1 19 . 1 1 34 34 SER H H 34 8.902 8.902 8.329 0.573 18433 8312 1 19 . 1 1 35 35 ASP N N 35 121.321 121.321 119.867 1.454 18433 8313 1 19 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.456 0.042 18433 8314 1 19 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.289 0.271 18433 8315 1 19 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.419 0.808 18433 8316 1 19 . 1 1 35 35 ASP H H 35 6.930 6.930 8.328 -1.398 18433 8317 1 19 . 1 1 36 36 VAL N N 36 123.532 123.532 119.567 3.965 18433 8318 1 19 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.478 -0.230 18433 8319 1 19 . 1 1 36 36 VAL CA C 36 67.358 67.358 66.097 1.261 18433 8320 1 19 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.598 0.494 18433 8321 1 19 . 1 1 36 36 VAL H H 36 8.014 8.014 7.481 0.533 18433 8322 1 19 . 1 1 37 37 LYS N N 37 118.036 118.036 117.632 0.404 18433 8323 1 19 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.632 -0.165 18433 8324 1 19 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.300 0.949 18433 8325 1 19 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.582 0.727 18433 8326 1 19 . 1 1 37 37 LYS H H 37 8.384 8.384 7.979 0.405 18433 8327 1 19 . 1 1 38 38 THR N N 38 115.765 115.765 116.609 -0.844 18433 8328 1 19 . 1 1 38 38 THR HA H 38 3.872 3.872 4.046 -0.174 18433 8329 1 19 . 1 1 38 38 THR CA C 38 66.652 66.652 66.854 -0.202 18433 8330 1 19 . 1 1 38 38 THR CB C 38 68.664 68.664 68.481 0.183 18433 8331 1 19 . 1 1 38 38 THR H H 38 7.344 7.344 7.337 0.007 18433 8332 1 19 . 1 1 39 39 LEU N N 39 123.362 123.362 120.899 2.463 18433 8333 1 19 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.238 0.109 18433 8334 1 19 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.783 0.474 18433 8335 1 19 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.523 1.782 18433 8336 1 19 . 1 1 39 39 LEU H H 39 7.701 7.701 7.277 0.424 18433 8337 1 19 . 1 1 40 40 LEU N N 40 118.128 118.128 120.022 -1.894 18433 8338 1 19 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.137 0.238 18433 8339 1 19 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.243 0.068 18433 8340 1 19 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.431 1.357 18433 8341 1 19 . 1 1 40 40 LEU H H 40 8.434 8.434 7.761 0.673 18433 8342 1 19 . 1 1 41 41 LYS N N 41 117.838 117.838 119.078 -1.240 18433 8343 1 19 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.864 -0.002 18433 8344 1 19 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.779 0.117 18433 8345 1 19 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.653 -0.957 18433 8346 1 19 . 1 1 41 41 LYS H H 41 8.571 8.571 8.345 0.226 18433 8347 1 19 . 1 1 42 42 GLU N N 42 122.248 122.248 116.609 5.639 18433 8348 1 19 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.231 -0.340 18433 8349 1 19 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.119 1.827 18433 8350 1 19 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.559 0.044 18433 8351 1 19 . 1 1 42 42 GLU H H 42 8.276 8.276 7.783 0.493 18433 8352 1 19 . 1 1 43 43 TRP N N 43 123.115 123.115 121.882 1.233 18433 8353 1 19 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.467 -1.442 18433 8354 1 19 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.520 -1.716 18433 8355 1 19 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.428 -0.776 18433 8356 1 19 . 1 1 43 43 TRP H H 43 8.318 8.318 8.003 0.315 18433 8357 1 19 . 1 1 44 44 ILE N N 44 112.941 112.941 113.844 -0.903 18433 8358 1 19 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.446 -0.907 18433 8359 1 19 . 1 1 44 44 ILE CA C 44 62.441 62.441 60.843 1.597 18433 8360 1 19 . 1 1 44 44 ILE CB C 44 38.393 38.393 37.857 0.536 18433 8361 1 19 . 1 1 44 44 ILE H H 44 7.567 7.567 7.400 0.167 18433 8362 1 19 . 1 1 45 45 THR N N 45 106.451 106.451 112.596 -6.145 18433 8363 1 19 . 1 1 45 45 THR HA H 45 4.080 4.080 4.333 -0.253 18433 8364 1 19 . 1 1 45 45 THR CA C 45 63.681 63.681 63.834 -0.153 18433 8365 1 19 . 1 1 45 45 THR CB C 45 70.147 70.147 69.719 0.428 18433 8366 1 19 . 1 1 45 45 THR H H 45 7.653 7.653 7.608 0.045 18433 8367 1 19 . 1 1 46 46 THR N N 46 110.600 110.600 116.253 -5.653 18433 8368 1 19 . 1 1 46 46 THR HA H 46 4.557 4.557 4.269 0.288 18433 8369 1 19 . 1 1 46 46 THR CA C 46 62.972 62.972 64.618 -1.646 18433 8370 1 19 . 1 1 46 46 THR CB C 46 71.039 71.039 69.415 1.624 18433 8371 1 19 . 1 1 46 46 THR H H 46 7.502 7.502 8.231 -0.729 18433 8372 1 19 . 1 1 47 47 ILE N N 47 124.370 124.370 121.157 3.213 18433 8373 1 19 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.297 0.176 18433 8374 1 19 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.999 -2.396 18433 8375 1 19 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.724 -4.223 18433 8376 1 19 . 1 1 47 47 ILE H H 47 7.533 7.533 7.408 0.125 18433 8377 1 19 . 1 1 48 48 SER N N 48 119.846 119.846 121.026 -1.180 18433 8378 1 19 . 1 1 48 48 SER HA H 48 4.498 4.498 4.773 -0.275 18433 8379 1 19 . 1 1 48 48 SER CA C 48 59.280 59.280 59.517 -0.237 18433 8380 1 19 . 1 1 48 48 SER CB C 48 63.813 63.813 64.620 -0.807 18433 8381 1 19 . 1 1 48 48 SER H H 48 8.423 8.423 8.748 -0.325 18433 8382 1 19 . 1 1 49 49 ASP N N 49 119.475 119.475 120.316 -0.841 18433 8383 1 19 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.726 0.073 18433 8384 1 19 . 1 1 49 49 ASP CA C 49 50.804 50.804 51.402 -0.598 18433 8385 1 19 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.309 0.172 18433 8386 1 19 . 1 1 49 49 ASP H H 49 7.298 7.298 8.004 -0.706 18433 8387 1 19 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.456 -0.288 18433 8388 1 19 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.780 -0.868 18433 8389 1 19 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.804 -1.057 18433 8390 1 19 . 1 1 51 51 MET N N 51 121.983 121.983 120.355 1.628 18433 8391 1 19 . 1 1 51 51 MET HA H 51 4.492 4.492 4.648 -0.156 18433 8392 1 19 . 1 1 51 51 MET CA C 51 55.165 55.165 54.410 0.755 18433 8393 1 19 . 1 1 51 51 MET CB C 51 33.974 33.974 34.782 -0.808 18433 8394 1 19 . 1 1 51 51 MET H H 51 9.258 9.258 8.853 0.405 18433 8395 1 19 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.735 0.097 18433 8396 1 19 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.369 0.130 18433 8397 1 19 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.206 0.517 18433 8398 1 19 . 1 1 53 53 GLU N N 53 116.755 116.755 118.430 -1.675 18433 8399 1 19 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.129 -0.064 18433 8400 1 19 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.799 0.372 18433 8401 1 19 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.992 0.652 18433 8402 1 19 . 1 1 53 53 GLU H H 53 9.834 9.834 8.648 1.186 18433 8403 1 19 . 1 1 54 54 ASP N N 54 117.972 117.972 119.748 -1.776 18433 8404 1 19 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.311 0.687 18433 8405 1 19 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.005 1.056 18433 8406 1 19 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.185 2.081 18433 8407 1 19 . 1 1 54 54 ASP H H 54 7.348 7.348 8.445 -1.097 18433 8408 1 19 . 1 1 55 55 ILE N N 55 122.004 122.004 119.789 2.215 18433 8409 1 19 . 1 1 55 55 ILE HA H 55 3.935 3.935 4.074 -0.139 18433 8410 1 19 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.532 1.999 18433 8411 1 19 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.068 0.071 18433 8412 1 19 . 1 1 55 55 ILE H H 55 8.081 8.081 8.121 -0.040 18433 8413 1 19 . 1 1 56 56 LEU N N 56 117.547 117.547 120.839 -3.292 18433 8414 1 19 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.142 0.008 18433 8415 1 19 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.202 -0.267 18433 8416 1 19 . 1 1 56 56 LEU CB C 56 40.977 40.977 41.618 -0.641 18433 8417 1 19 . 1 1 56 56 LEU H H 56 8.770 8.770 7.868 0.902 18433 8418 1 19 . 1 1 57 57 GLN N N 57 119.917 119.917 117.227 2.690 18433 8419 1 19 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.037 0.029 18433 8420 1 19 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.824 1.548 18433 8421 1 19 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.191 -0.251 18433 8422 1 19 . 1 1 57 57 GLN H H 57 7.734 7.734 8.069 -0.335 18433 8423 1 19 . 1 1 58 58 VAL N N 58 122.347 122.347 118.490 3.857 18433 8424 1 19 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.778 -0.163 18433 8425 1 19 . 1 1 58 58 VAL CA C 58 67.230 67.230 66.272 0.958 18433 8426 1 19 . 1 1 58 58 VAL CB C 58 31.272 31.272 31.634 -0.362 18433 8427 1 19 . 1 1 58 58 VAL H H 58 7.727 7.727 7.586 0.141 18433 8428 1 19 . 1 1 59 59 VAL N N 59 121.131 121.131 121.311 -0.180 18433 8429 1 19 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.745 -0.339 18433 8430 1 19 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.381 1.667 18433 8431 1 19 . 1 1 59 59 VAL CB C 59 31.542 31.542 30.951 0.591 18433 8432 1 19 . 1 1 59 59 VAL H H 59 8.341 8.341 7.710 0.631 18433 8433 1 19 . 1 1 60 60 ARG N N 60 120.942 120.942 118.002 2.940 18433 8434 1 19 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.168 -0.053 18433 8435 1 19 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.387 0.026 18433 8436 1 19 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.468 0.273 18433 8437 1 19 . 1 1 60 60 ARG H H 60 8.457 8.457 7.931 0.526 18433 8438 1 19 . 1 1 61 61 TYR N N 61 120.718 120.718 121.519 -0.801 18433 8439 1 19 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.319 0.247 18433 8440 1 19 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.482 -0.728 18433 8441 1 19 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.803 -0.450 18433 8442 1 19 . 1 1 61 61 TYR H H 61 7.833 7.833 7.494 0.339 18433 8443 1 19 . 1 1 62 62 CYS N N 62 114.924 114.924 117.633 -2.709 18433 8444 1 19 . 1 1 62 62 CYS HA H 62 3.673 3.673 4.031 -0.358 18433 8445 1 19 . 1 1 62 62 CYS CA C 62 64.281 64.281 63.046 1.235 18433 8446 1 19 . 1 1 62 62 CYS CB C 62 27.717 27.717 27.629 0.088 18433 8447 1 19 . 1 1 62 62 CYS H H 62 8.079 8.079 8.438 -0.359 18433 8448 1 19 . 1 1 63 63 THR N N 63 114.103 114.103 113.421 0.682 18433 8449 1 19 . 1 1 63 63 THR HA H 63 3.852 3.852 3.994 -0.142 18433 8450 1 19 . 1 1 63 63 THR CA C 63 66.871 66.871 66.340 0.531 18433 8451 1 19 . 1 1 63 63 THR CB C 63 67.762 67.762 68.157 -0.395 18433 8452 1 19 . 1 1 63 63 THR H H 63 8.721 8.721 8.505 0.216 18433 8453 1 19 . 1 1 64 64 ASP N N 64 126.664 126.664 121.081 5.583 18433 8454 1 19 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.568 -0.147 18433 8455 1 19 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.766 1.018 18433 8456 1 19 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.161 -0.920 18433 8457 1 19 . 1 1 64 64 ASP H H 64 8.771 8.771 7.463 1.308 18433 8458 1 19 . 1 1 65 65 LEU N N 65 119.722 119.722 120.941 -1.219 18433 8459 1 19 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.968 -0.096 18433 8460 1 19 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.837 0.414 18433 8461 1 19 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.651 -0.161 18433 8462 1 19 . 1 1 65 65 LEU H H 65 7.850 7.850 7.519 0.331 18433 8463 1 19 . 1 1 66 66 ILE N N 66 119.189 119.189 120.186 -0.997 18433 8464 1 19 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.877 -0.479 18433 8465 1 19 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.734 0.464 18433 8466 1 19 . 1 1 66 66 ILE CB C 66 37.730 37.730 38.034 -0.304 18433 8467 1 19 . 1 1 66 66 ILE H H 66 7.636 7.636 7.513 0.123 18433 8468 1 19 . 1 1 67 67 GLU N N 67 123.166 123.166 118.460 4.706 18433 8469 1 19 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.149 -0.154 18433 8470 1 19 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.519 1.077 18433 8471 1 19 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.295 -0.112 18433 8472 1 19 . 1 1 67 67 GLU H H 67 8.512 8.512 7.782 0.730 18433 8473 1 19 . 1 1 68 68 GLU N N 68 116.524 116.524 117.118 -0.594 18433 8474 1 19 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.319 -0.024 18433 8475 1 19 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.170 -0.392 18433 8476 1 19 . 1 1 68 68 GLU CB C 68 29.535 29.535 29.937 -0.402 18433 8477 1 19 . 1 1 68 68 GLU H H 68 7.633 7.633 7.922 -0.289 18433 8478 1 19 . 1 1 69 69 LYS N N 69 116.625 116.625 115.561 1.064 18433 8479 1 19 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.110 -0.465 18433 8480 1 19 . 1 1 69 69 LYS CA C 69 57.369 57.369 57.040 0.329 18433 8481 1 19 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.558 0.242 18433 8482 1 19 . 1 1 69 69 LYS H H 69 8.066 8.066 7.886 0.180 18433 8483 1 19 . 1 1 70 70 ASP N N 70 122.727 122.727 118.614 4.113 18433 8484 1 19 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.924 0.116 18433 8485 1 19 . 1 1 70 70 ASP CA C 70 51.396 51.396 52.872 -1.476 18433 8486 1 19 . 1 1 70 70 ASP CB C 70 38.761 38.761 41.209 -2.447 18433 8487 1 19 . 1 1 70 70 ASP H H 70 8.483 8.483 8.561 -0.078 18433 8488 1 19 . 1 1 71 71 LEU N N 71 119.712 119.712 120.290 -0.578 18433 8489 1 19 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.832 0.049 18433 8490 1 19 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.290 -0.778 18433 8491 1 19 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.129 -0.882 18433 8492 1 19 . 1 1 71 71 LEU H H 71 7.515 7.515 8.237 -0.722 18433 8493 1 19 . 1 1 72 72 GLU N N 72 121.320 121.320 119.899 1.421 18433 8494 1 19 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.866 0.182 18433 8495 1 19 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.482 0.024 18433 8496 1 19 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.272 0.047 18433 8497 1 19 . 1 1 72 72 GLU H H 72 8.561 8.561 8.564 -0.003 18433 8498 1 19 . 1 1 73 73 LYS N N 73 119.338 119.338 117.451 1.887 18433 8499 1 19 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.959 -0.222 18433 8500 1 19 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.162 1.346 18433 8501 1 19 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.186 0.183 18433 8502 1 19 . 1 1 73 73 LYS H H 73 7.448 7.448 7.516 -0.068 18433 8503 1 19 . 1 1 74 74 LEU N N 74 117.830 117.830 123.671 -5.841 18433 8504 1 19 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.016 -0.136 18433 8505 1 19 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.750 -0.808 18433 8506 1 19 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.819 -0.323 18433 8507 1 19 . 1 1 74 74 LEU H H 74 7.516 7.516 7.456 0.060 18433 8508 1 19 . 1 1 75 75 ASP N N 75 117.736 117.736 118.752 -1.016 18433 8509 1 19 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.421 -0.179 18433 8510 1 19 . 1 1 75 75 ASP CA C 75 57.852 57.852 58.326 -0.474 18433 8511 1 19 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.631 1.692 18433 8512 1 19 . 1 1 75 75 ASP H H 75 7.828 7.828 7.966 -0.138 18433 8513 1 19 . 1 1 76 76 LEU N N 76 116.254 116.254 119.842 -3.588 18433 8514 1 19 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.161 -0.251 18433 8515 1 19 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.753 0.204 18433 8516 1 19 . 1 1 76 76 LEU CB C 76 41.827 41.827 41.948 -0.121 18433 8517 1 19 . 1 1 76 76 LEU H H 76 7.454 7.454 7.364 0.090 18433 8518 1 19 . 1 1 77 77 VAL N N 77 120.653 120.653 119.406 1.247 18433 8519 1 19 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.775 0.189 18433 8520 1 19 . 1 1 77 77 VAL CA C 77 66.879 66.879 67.425 -0.547 18433 8521 1 19 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.960 0.059 18433 8522 1 19 . 1 1 77 77 VAL H H 77 8.626 8.626 8.605 0.021 18433 8523 1 19 . 1 1 78 78 ILE N N 78 122.189 122.189 120.530 1.659 18433 8524 1 19 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.963 0.023 18433 8525 1 19 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.471 -0.630 18433 8526 1 19 . 1 1 78 78 ILE CB C 78 35.672 35.672 37.068 -1.396 18433 8527 1 19 . 1 1 78 78 ILE H H 78 8.755 8.755 8.935 -0.180 18433 8528 1 19 . 1 1 79 79 LYS N N 79 119.030 119.030 120.188 -1.158 18433 8529 1 19 . 1 1 79 79 LYS HA H 79 3.881 3.881 3.987 -0.106 18433 8530 1 19 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.979 1.459 18433 8531 1 19 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.665 0.957 18433 8532 1 19 . 1 1 79 79 LYS H H 79 8.413 8.413 7.987 0.426 18433 8533 1 19 . 1 1 80 80 TYR N N 80 121.226 121.226 121.380 -0.154 18433 8534 1 19 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.257 0.051 18433 8535 1 19 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.276 0.728 18433 8536 1 19 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.360 -0.349 18433 8537 1 19 . 1 1 80 80 TYR H H 80 8.205 8.205 7.759 0.446 18433 8538 1 19 . 1 1 81 81 MET N N 81 116.428 116.428 117.731 -1.303 18433 8539 1 19 . 1 1 81 81 MET HA H 81 3.711 3.711 4.148 -0.437 18433 8540 1 19 . 1 1 81 81 MET CA C 81 60.733 60.733 58.927 1.806 18433 8541 1 19 . 1 1 81 81 MET CB C 81 33.894 33.894 32.960 0.934 18433 8542 1 19 . 1 1 81 81 MET H H 81 8.578 8.578 8.620 -0.042 18433 8543 1 19 . 1 1 82 82 LYS N N 82 119.778 119.778 119.135 0.643 18433 8544 1 19 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.335 -0.642 18433 8545 1 19 . 1 1 82 82 LYS CA C 82 59.983 59.983 58.522 1.461 18433 8546 1 19 . 1 1 82 82 LYS CB C 82 32.791 32.791 30.995 1.796 18433 8547 1 19 . 1 1 82 82 LYS H H 82 8.594 8.594 8.362 0.232 18433 8548 1 19 . 1 1 83 83 ARG N N 83 116.474 116.474 119.349 -2.875 18433 8549 1 19 . 1 1 83 83 ARG HA H 83 3.854 3.854 4.055 -0.201 18433 8550 1 19 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.434 0.047 18433 8551 1 19 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.632 -0.030 18433 8552 1 19 . 1 1 83 83 ARG H H 83 7.145 7.145 7.355 -0.210 18433 8553 1 19 . 1 1 84 84 LEU N N 84 116.576 116.576 120.874 -4.298 18433 8554 1 19 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.912 -0.084 18433 8555 1 19 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.038 -0.104 18433 8556 1 19 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.948 1.091 18433 8557 1 19 . 1 1 84 84 LEU H H 84 7.284 7.284 7.049 0.235 18433 8558 1 19 . 1 1 85 85 MET N N 85 115.841 115.841 114.515 1.326 18433 8559 1 19 . 1 1 85 85 MET HA H 85 3.756 3.756 3.659 0.097 18433 8560 1 19 . 1 1 85 85 MET CA C 85 59.260 59.260 58.367 0.893 18433 8561 1 19 . 1 1 85 85 MET CB C 85 32.487 32.487 32.439 0.048 18433 8562 1 19 . 1 1 85 85 MET H H 85 8.683 8.683 7.717 0.966 18433 8563 1 19 . 1 1 86 86 GLN N N 86 114.640 114.640 114.141 0.499 18433 8564 1 19 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.156 0.205 18433 8565 1 19 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.440 -0.583 18433 8566 1 19 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.597 -1.967 18433 8567 1 19 . 1 1 86 86 GLN H H 86 7.513 7.513 7.397 0.116 18433 8568 1 19 . 1 1 87 87 GLN N N 87 117.352 117.352 117.036 0.316 18433 8569 1 19 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.278 -0.056 18433 8570 1 19 . 1 1 87 87 GLN CA C 87 56.334 56.334 55.883 0.451 18433 8571 1 19 . 1 1 87 87 GLN CB C 87 29.139 29.139 29.008 0.132 18433 8572 1 19 . 1 1 87 87 GLN H H 87 7.277 7.277 7.504 -0.227 18433 8573 1 19 . 1 1 88 88 SER N N 88 113.778 113.778 115.026 -1.248 18433 8574 1 19 . 1 1 88 88 SER HA H 88 4.431 4.431 4.290 0.141 18433 8575 1 19 . 1 1 88 88 SER CA C 88 58.372 58.372 58.005 0.367 18433 8576 1 19 . 1 1 88 88 SER CB C 88 63.525 63.525 64.015 -0.490 18433 8577 1 19 . 1 1 88 88 SER H H 88 7.482 7.482 7.420 0.062 18433 8578 1 19 . 1 1 89 89 VAL N N 89 120.934 120.934 118.325 2.609 18433 8579 1 19 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.160 0.003 18433 8580 1 19 . 1 1 89 89 VAL CA C 89 62.661 62.661 62.868 -0.207 18433 8581 1 19 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.494 -0.522 18433 8582 1 19 . 1 1 89 89 VAL H H 89 8.188 8.188 8.613 -0.425 18433 8583 1 19 . 1 1 90 90 GLU N N 90 120.714 120.714 120.404 0.310 18433 8584 1 19 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.531 -0.090 18433 8585 1 19 . 1 1 90 90 GLU CA C 90 55.945 55.945 55.723 0.222 18433 8586 1 19 . 1 1 90 90 GLU CB C 90 29.607 29.607 30.256 -0.649 18433 8587 1 19 . 1 1 90 90 GLU H H 90 8.411 8.411 8.182 0.229 18433 8588 1 19 . 1 1 91 91 SER HA H 91 4.451 4.451 4.298 0.153 18433 8589 1 19 . 1 1 91 91 SER CA C 91 59.681 59.681 60.660 -0.979 18433 8590 1 19 . 1 1 91 91 SER CB C 91 63.893 63.893 63.236 0.657 18433 8591 1 19 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.744 0.268 18433 8592 1 19 . 1 1 92 92 VAL CA C 92 64.738 64.738 64.790 -0.052 18433 8593 1 19 . 1 1 92 92 VAL CB C 92 31.013 31.013 30.874 0.139 18433 8594 1 19 . 1 1 93 93 TRP N N 93 121.614 121.614 120.320 1.294 18433 8595 1 19 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.339 0.160 18433 8596 1 19 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.365 -0.689 18433 8597 1 19 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.591 0.266 18433 8598 1 19 . 1 1 93 93 TRP H H 93 7.551 7.551 7.343 0.208 18433 8599 1 19 . 1 1 94 94 ASN N N 94 119.013 119.013 117.526 1.487 18433 8600 1 19 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.456 -0.061 18433 8601 1 19 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.647 0.591 18433 8602 1 19 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.599 0.149 18433 8603 1 19 . 1 1 94 94 ASN H H 94 7.794 7.794 7.938 -0.144 18433 8604 1 19 . 1 1 95 95 MET N N 95 117.158 117.158 118.171 -1.013 18433 8605 1 19 . 1 1 95 95 MET HA H 95 4.346 4.346 4.387 -0.041 18433 8606 1 19 . 1 1 95 95 MET CA C 95 58.445 58.445 58.672 -0.227 18433 8607 1 19 . 1 1 95 95 MET CB C 95 32.436 32.436 32.456 -0.021 18433 8608 1 19 . 1 1 95 95 MET H H 95 7.751 7.751 7.593 0.158 18433 8609 1 19 . 1 1 96 96 ALA N N 96 123.406 123.406 123.416 -0.010 18433 8610 1 19 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.077 0.130 18433 8611 1 19 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.403 0.042 18433 8612 1 19 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.327 -0.822 18433 8613 1 19 . 1 1 96 96 ALA H H 96 7.920 7.920 7.697 0.223 18433 8614 1 19 . 1 1 97 97 PHE N N 97 117.830 117.830 118.720 -0.890 18433 8615 1 19 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.316 -0.112 18433 8616 1 19 . 1 1 97 97 PHE CA C 97 62.853 62.853 60.347 2.506 18433 8617 1 19 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.061 -0.914 18433 8618 1 19 . 1 1 97 97 PHE H H 97 8.431 8.431 8.045 0.386 18433 8619 1 19 . 1 1 98 98 ASP N N 98 118.570 118.570 120.146 -1.576 18433 8620 1 19 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.047 0.201 18433 8621 1 19 . 1 1 98 98 ASP CA C 98 57.702 57.702 57.151 0.551 18433 8622 1 19 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.897 -0.497 18433 8623 1 19 . 1 1 98 98 ASP H H 98 7.805 7.805 7.681 0.124 18433 8624 1 19 . 1 1 99 99 PHE N N 99 119.874 119.874 121.380 -1.506 18433 8625 1 19 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.130 0.164 18433 8626 1 19 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.527 -0.344 18433 8627 1 19 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.197 0.285 18433 8628 1 19 . 1 1 99 99 PHE H H 99 7.920 7.920 8.123 -0.203 18433 8629 1 19 . 1 1 100 100 ILE N N 100 122.589 122.589 119.160 3.429 18433 8630 1 19 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.534 -0.131 18433 8631 1 19 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.708 0.389 18433 8632 1 19 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.973 0.719 18433 8633 1 19 . 1 1 100 100 ILE H H 100 8.573 8.573 7.807 0.766 18433 8634 1 19 . 1 1 101 101 LEU N N 101 119.531 119.531 120.221 -0.690 18433 8635 1 19 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.809 -0.095 18433 8636 1 19 . 1 1 101 101 LEU CA C 101 57.998 57.998 57.922 0.076 18433 8637 1 19 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.252 -0.545 18433 8638 1 19 . 1 1 101 101 LEU H H 101 8.716 8.716 7.479 1.237 18433 8639 1 19 . 1 1 102 102 ASP N N 102 118.371 118.371 118.822 -0.451 18433 8640 1 19 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.324 -0.073 18433 8641 1 19 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.757 0.736 18433 8642 1 19 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.795 -0.016 18433 8643 1 19 . 1 1 102 102 ASP H H 102 8.343 8.343 8.287 0.056 18433 8644 1 19 . 1 1 103 103 ASN N N 103 115.409 115.409 115.637 -0.228 18433 8645 1 19 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.629 -0.496 18433 8646 1 19 . 1 1 103 103 ASN CA C 103 57.079 57.079 55.174 1.905 18433 8647 1 19 . 1 1 103 103 ASN CB C 103 39.990 39.990 39.938 0.052 18433 8648 1 19 . 1 1 103 103 ASN H H 103 7.393 7.393 7.267 0.126 18433 8649 1 19 . 1 1 104 104 VAL N N 104 119.972 119.972 122.518 -2.546 18433 8650 1 19 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.633 -0.216 18433 8651 1 19 . 1 1 104 104 VAL CA C 104 66.949 66.949 67.439 -0.491 18433 8652 1 19 . 1 1 104 104 VAL CB C 104 31.822 31.822 32.044 -0.222 18433 8653 1 19 . 1 1 104 104 VAL H H 104 8.299 8.299 8.569 -0.270 18433 8654 1 19 . 1 1 105 105 GLN N N 105 118.449 118.449 117.908 0.541 18433 8655 1 19 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.980 0.414 18433 8656 1 19 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.768 0.252 18433 8657 1 19 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.922 0.667 18433 8658 1 19 . 1 1 105 105 GLN H H 105 8.763 8.763 8.063 0.700 18433 8659 1 19 . 1 1 106 106 VAL N N 106 118.643 118.643 120.047 -1.404 18433 8660 1 19 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.767 -0.053 18433 8661 1 19 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.069 0.339 18433 8662 1 19 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.385 0.312 18433 8663 1 19 . 1 1 106 106 VAL H H 106 7.607 7.607 7.673 -0.066 18433 8664 1 19 . 1 1 107 107 VAL N N 107 120.205 120.205 119.732 0.473 18433 8665 1 19 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.782 -0.053 18433 8666 1 19 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.590 0.784 18433 8667 1 19 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.587 -0.269 18433 8668 1 19 . 1 1 107 107 VAL H H 107 7.329 7.329 7.307 0.022 18433 8669 1 19 . 1 1 108 108 LEU N N 108 123.706 123.706 119.133 4.573 18433 8670 1 19 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.302 -0.279 18433 8671 1 19 . 1 1 108 108 LEU CA C 108 58.902 58.902 57.874 1.028 18433 8672 1 19 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.509 0.466 18433 8673 1 19 . 1 1 108 108 LEU H H 108 8.742 8.742 8.193 0.549 18433 8674 1 19 . 1 1 109 109 GLN N N 109 119.622 119.622 118.942 0.680 18433 8675 1 19 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.134 -0.153 18433 8676 1 19 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.843 0.223 18433 8677 1 19 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.753 -0.486 18433 8678 1 19 . 1 1 109 109 GLN H H 109 8.456 8.456 7.984 0.472 18433 8679 1 19 . 1 1 110 110 GLN N N 110 117.492 117.492 117.006 0.486 18433 8680 1 19 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.082 -0.008 18433 8681 1 19 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.173 -0.097 18433 8682 1 19 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.595 0.097 18433 8683 1 19 . 1 1 110 110 GLN H H 110 8.060 8.060 7.802 0.258 18433 8684 1 19 . 1 1 111 111 THR N N 111 112.944 112.944 113.479 -0.535 18433 8685 1 19 . 1 1 111 111 THR HA H 111 4.017 4.017 4.030 -0.013 18433 8686 1 19 . 1 1 111 111 THR CA C 111 65.020 65.020 64.637 0.383 18433 8687 1 19 . 1 1 111 111 THR CB C 111 69.543 69.543 69.733 -0.190 18433 8688 1 19 . 1 1 111 111 THR H H 111 7.934 7.934 7.436 0.498 18433 8689 1 19 . 1 1 112 112 TYR N N 112 118.273 118.273 117.864 0.409 18433 8690 1 19 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.608 0.089 18433 8691 1 19 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.892 -0.472 18433 8692 1 19 . 1 1 112 112 TYR CB C 112 40.341 40.341 39.579 0.762 18433 8693 1 19 . 1 1 112 112 TYR H H 112 8.404 8.404 8.359 0.045 18433 8694 1 19 . 1 1 113 113 GLY N N 113 109.593 109.593 105.231 4.362 18433 8695 1 19 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.123 0.886 18433 8696 1 19 . 1 1 113 113 GLY H H 113 7.990 7.990 7.888 0.102 18433 8697 1 19 . 1 1 114 114 SER N N 114 113.965 113.965 115.298 -1.333 18433 8698 1 19 . 1 1 114 114 SER HA H 114 4.630 4.630 4.658 -0.028 18433 8699 1 19 . 1 1 114 114 SER CA C 114 57.356 57.356 57.089 0.267 18433 8700 1 19 . 1 1 114 114 SER CB C 114 64.543 64.543 64.103 0.440 18433 8701 1 19 . 1 1 114 114 SER H H 114 7.636 7.636 7.981 -0.345 18433 8702 1 19 . 1 1 115 115 THR N N 115 110.456 110.456 110.508 -0.052 18433 8703 1 19 . 1 1 115 115 THR HA H 115 4.406 4.406 4.589 -0.183 18433 8704 1 19 . 1 1 115 115 THR CA C 115 61.125 61.125 60.189 0.936 18433 8705 1 19 . 1 1 115 115 THR CB C 115 70.288 70.288 70.790 -0.502 18433 8706 1 19 . 1 1 115 115 THR H H 115 7.828 7.828 7.911 -0.083 18433 8707 1 19 . 1 1 116 116 LEU N N 116 123.832 123.832 121.213 2.619 18433 8708 1 19 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.483 -0.177 18433 8709 1 19 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.752 0.131 18433 8710 1 19 . 1 1 116 116 LEU CB C 116 42.795 42.795 42.657 0.138 18433 8711 1 19 . 1 1 116 116 LEU H H 116 8.741 8.741 8.679 0.062 18433 8712 1 19 . 1 1 117 117 LYS N N 117 124.713 124.713 125.057 -0.344 18433 8713 1 19 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.487 -0.074 18433 8714 1 19 . 1 1 117 117 LYS CA C 117 55.551 55.551 55.479 0.072 18433 8715 1 19 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.772 0.779 18433 8716 1 19 . 1 1 117 117 LYS H H 117 8.479 8.479 8.647 -0.168 18433 8717 1 19 . 1 1 118 118 VAL N N 118 122.419 122.419 122.570 -0.151 18433 8718 1 19 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.516 -0.274 18433 8719 1 19 . 1 1 118 118 VAL CA C 118 61.955 61.955 60.592 1.363 18433 8720 1 19 . 1 1 118 118 VAL CB C 118 32.837 32.837 31.888 0.949 18433 8721 1 19 . 1 1 118 118 VAL H H 118 8.268 8.268 8.517 -0.249 18433 8722 1 20 . 1 1 24 24 ALA N N 24 123.308 123.308 123.950 -0.642 18433 8723 1 20 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.577 -0.033 18433 8724 1 20 . 1 1 24 24 ALA CA C 24 50.311 50.311 50.395 -0.084 18433 8725 1 20 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.115 -0.518 18433 8726 1 20 . 1 1 24 24 ALA H H 24 7.820 7.820 8.061 -0.241 18433 8727 1 20 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.376 0.262 18433 8728 1 20 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.969 0.282 18433 8729 1 20 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.364 1.498 18433 8730 1 20 . 1 1 26 26 ASN N N 26 120.016 120.016 120.037 -0.021 18433 8731 1 20 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.454 -0.227 18433 8732 1 20 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.070 0.553 18433 8733 1 20 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.206 1.933 18433 8734 1 20 . 1 1 26 26 ASN H H 26 9.079 9.079 8.069 1.010 18433 8735 1 20 . 1 1 27 27 LEU N N 27 123.375 123.375 123.797 -0.422 18433 8736 1 20 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.416 -0.179 18433 8737 1 20 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.173 -0.870 18433 8738 1 20 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.023 0.794 18433 8739 1 20 . 1 1 27 27 LEU H H 27 8.098 8.098 8.476 -0.378 18433 8740 1 20 . 1 1 28 28 ALA N N 28 126.889 126.889 130.013 -3.124 18433 8741 1 20 . 1 1 28 28 ALA HA H 28 3.674 3.674 4.016 -0.342 18433 8742 1 20 . 1 1 28 28 ALA CA C 28 52.381 52.381 52.597 -0.216 18433 8743 1 20 . 1 1 28 28 ALA CB C 28 18.929 18.929 16.941 1.988 18433 8744 1 20 . 1 1 28 28 ALA H H 28 9.215 9.215 8.975 0.240 18433 8745 1 20 . 1 1 29 29 GLY N N 29 102.532 102.532 103.065 -0.533 18433 8746 1 20 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.837 0.001 18433 8747 1 20 . 1 1 29 29 GLY H H 29 7.943 7.943 8.555 -0.612 18433 8748 1 20 . 1 1 30 30 ALA N N 30 125.002 125.002 122.568 2.434 18433 8749 1 20 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.489 -0.237 18433 8750 1 20 . 1 1 30 30 ALA CA C 30 52.148 52.148 51.146 1.002 18433 8751 1 20 . 1 1 30 30 ALA CB C 30 19.434 19.434 19.738 -0.304 18433 8752 1 20 . 1 1 30 30 ALA H H 30 8.040 8.040 7.470 0.570 18433 8753 1 20 . 1 1 31 31 VAL N N 31 119.492 119.492 124.325 -4.833 18433 8754 1 20 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.020 0.248 18433 8755 1 20 . 1 1 31 31 VAL CA C 31 62.397 62.397 64.193 -1.796 18433 8756 1 20 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.608 2.350 18433 8757 1 20 . 1 1 31 31 VAL H H 31 8.415 8.415 8.373 0.042 18433 8758 1 20 . 1 1 32 32 GLU N N 32 122.142 122.142 118.751 3.391 18433 8759 1 20 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.320 -0.046 18433 8760 1 20 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.334 -0.138 18433 8761 1 20 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.224 -0.885 18433 8762 1 20 . 1 1 32 32 GLU H H 32 8.757 8.757 7.851 0.906 18433 8763 1 20 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.135 0.120 18433 8764 1 20 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.947 -0.611 18433 8765 1 20 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.438 -0.794 18433 8766 1 20 . 1 1 34 34 SER N N 34 112.028 112.028 113.683 -1.655 18433 8767 1 20 . 1 1 34 34 SER HA H 34 3.652 3.652 3.716 -0.064 18433 8768 1 20 . 1 1 34 34 SER CA C 34 61.642 61.642 61.254 0.388 18433 8769 1 20 . 1 1 34 34 SER CB C 34 61.807 61.807 62.723 -0.916 18433 8770 1 20 . 1 1 34 34 SER H H 34 8.902 8.902 8.700 0.202 18433 8771 1 20 . 1 1 35 35 ASP N N 35 121.321 121.321 120.795 0.526 18433 8772 1 20 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.403 0.095 18433 8773 1 20 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.852 -0.292 18433 8774 1 20 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.681 0.546 18433 8775 1 20 . 1 1 35 35 ASP H H 35 6.930 6.930 7.623 -0.693 18433 8776 1 20 . 1 1 36 36 VAL N N 36 123.532 123.532 119.767 3.765 18433 8777 1 20 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.485 -0.237 18433 8778 1 20 . 1 1 36 36 VAL CA C 36 67.358 67.358 66.143 1.215 18433 8779 1 20 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.578 0.514 18433 8780 1 20 . 1 1 36 36 VAL H H 36 8.014 8.014 7.371 0.643 18433 8781 1 20 . 1 1 37 37 LYS N N 37 118.036 118.036 117.749 0.287 18433 8782 1 20 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.588 -0.121 18433 8783 1 20 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.290 0.959 18433 8784 1 20 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.535 0.773 18433 8785 1 20 . 1 1 37 37 LYS H H 37 8.384 8.384 7.935 0.449 18433 8786 1 20 . 1 1 38 38 THR N N 38 115.765 115.765 116.998 -1.233 18433 8787 1 20 . 1 1 38 38 THR HA H 38 3.872 3.872 4.054 -0.182 18433 8788 1 20 . 1 1 38 38 THR CA C 38 66.652 66.652 66.162 0.490 18433 8789 1 20 . 1 1 38 38 THR CB C 38 68.664 68.664 68.705 -0.041 18433 8790 1 20 . 1 1 38 38 THR H H 38 7.344 7.344 7.306 0.038 18433 8791 1 20 . 1 1 39 39 LEU N N 39 123.362 123.362 121.675 1.687 18433 8792 1 20 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.322 0.025 18433 8793 1 20 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.706 0.551 18433 8794 1 20 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.707 1.599 18433 8795 1 20 . 1 1 39 39 LEU H H 39 7.701 7.701 7.310 0.391 18433 8796 1 20 . 1 1 40 40 LEU N N 40 118.128 118.128 119.472 -1.344 18433 8797 1 20 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.127 0.248 18433 8798 1 20 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.159 0.152 18433 8799 1 20 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.398 1.390 18433 8800 1 20 . 1 1 40 40 LEU H H 40 8.434 8.434 7.846 0.588 18433 8801 1 20 . 1 1 41 41 LYS N N 41 117.838 117.838 119.348 -1.510 18433 8802 1 20 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.855 0.007 18433 8803 1 20 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.862 0.034 18433 8804 1 20 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.626 -0.930 18433 8805 1 20 . 1 1 41 41 LYS H H 41 8.571 8.571 8.340 0.231 18433 8806 1 20 . 1 1 42 42 GLU N N 42 122.248 122.248 116.927 5.321 18433 8807 1 20 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.227 -0.336 18433 8808 1 20 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.207 1.739 18433 8809 1 20 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.430 0.173 18433 8810 1 20 . 1 1 42 42 GLU H H 42 8.276 8.276 7.818 0.458 18433 8811 1 20 . 1 1 43 43 TRP N N 43 123.115 123.115 122.778 0.337 18433 8812 1 20 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.490 -1.465 18433 8813 1 20 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.448 -1.643 18433 8814 1 20 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.590 -0.938 18433 8815 1 20 . 1 1 43 43 TRP H H 43 8.318 8.318 8.235 0.083 18433 8816 1 20 . 1 1 44 44 ILE N N 44 112.941 112.941 115.731 -2.790 18433 8817 1 20 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.552 -1.013 18433 8818 1 20 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.474 0.967 18433 8819 1 20 . 1 1 44 44 ILE CB C 44 38.393 38.393 38.056 0.337 18433 8820 1 20 . 1 1 44 44 ILE H H 44 7.567 7.567 7.532 0.035 18433 8821 1 20 . 1 1 45 45 THR N N 45 106.451 106.451 111.109 -4.658 18433 8822 1 20 . 1 1 45 45 THR HA H 45 4.080 4.080 4.325 -0.245 18433 8823 1 20 . 1 1 45 45 THR CA C 45 63.681 63.681 64.703 -1.022 18433 8824 1 20 . 1 1 45 45 THR CB C 45 70.147 70.147 69.575 0.572 18433 8825 1 20 . 1 1 45 45 THR H H 45 7.653 7.653 7.598 0.055 18433 8826 1 20 . 1 1 46 46 THR N N 46 110.600 110.600 116.536 -5.936 18433 8827 1 20 . 1 1 46 46 THR HA H 46 4.557 4.557 4.197 0.360 18433 8828 1 20 . 1 1 46 46 THR CA C 46 62.972 62.972 65.582 -2.611 18433 8829 1 20 . 1 1 46 46 THR CB C 46 71.039 71.039 69.339 1.700 18433 8830 1 20 . 1 1 46 46 THR H H 46 7.502 7.502 8.086 -0.584 18433 8831 1 20 . 1 1 47 47 ILE N N 47 124.370 124.370 120.997 3.373 18433 8832 1 20 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.354 0.119 18433 8833 1 20 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.570 -1.967 18433 8834 1 20 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.690 -4.189 18433 8835 1 20 . 1 1 47 47 ILE H H 47 7.533 7.533 7.344 0.189 18433 8836 1 20 . 1 1 48 48 SER N N 48 119.846 119.846 122.549 -2.703 18433 8837 1 20 . 1 1 48 48 SER HA H 48 4.498 4.498 4.755 -0.257 18433 8838 1 20 . 1 1 48 48 SER CA C 48 59.280 59.280 59.077 0.203 18433 8839 1 20 . 1 1 48 48 SER CB C 48 63.813 63.813 64.396 -0.583 18433 8840 1 20 . 1 1 48 48 SER H H 48 8.423 8.423 8.654 -0.231 18433 8841 1 20 . 1 1 49 49 ASP N N 49 119.475 119.475 121.738 -2.263 18433 8842 1 20 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.761 0.038 18433 8843 1 20 . 1 1 49 49 ASP CA C 49 50.804 50.804 51.919 -1.115 18433 8844 1 20 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.087 0.395 18433 8845 1 20 . 1 1 49 49 ASP H H 49 7.298 7.298 7.887 -0.589 18433 8846 1 20 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.567 -0.399 18433 8847 1 20 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.516 -0.604 18433 8848 1 20 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.879 -1.132 18433 8849 1 20 . 1 1 51 51 MET N N 51 121.983 121.983 119.769 2.214 18433 8850 1 20 . 1 1 51 51 MET HA H 51 4.492 4.492 4.626 -0.134 18433 8851 1 20 . 1 1 51 51 MET CA C 51 55.165 55.165 54.229 0.936 18433 8852 1 20 . 1 1 51 51 MET CB C 51 33.974 33.974 35.147 -1.173 18433 8853 1 20 . 1 1 51 51 MET H H 51 9.258 9.258 8.124 1.134 18433 8854 1 20 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.838 -0.006 18433 8855 1 20 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.213 0.286 18433 8856 1 20 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.608 0.115 18433 8857 1 20 . 1 1 53 53 GLU N N 53 116.755 116.755 118.856 -2.101 18433 8858 1 20 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.103 -0.038 18433 8859 1 20 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.765 0.406 18433 8860 1 20 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.760 0.884 18433 8861 1 20 . 1 1 53 53 GLU H H 53 9.834 9.834 8.769 1.065 18433 8862 1 20 . 1 1 54 54 ASP N N 54 117.972 117.972 118.588 -0.616 18433 8863 1 20 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.406 0.592 18433 8864 1 20 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.338 0.723 18433 8865 1 20 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.759 1.507 18433 8866 1 20 . 1 1 54 54 ASP H H 54 7.348 7.348 8.277 -0.929 18433 8867 1 20 . 1 1 55 55 ILE N N 55 122.004 122.004 120.648 1.356 18433 8868 1 20 . 1 1 55 55 ILE HA H 55 3.935 3.935 4.037 -0.102 18433 8869 1 20 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.727 1.804 18433 8870 1 20 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.341 -0.202 18433 8871 1 20 . 1 1 55 55 ILE H H 55 8.081 8.081 7.916 0.165 18433 8872 1 20 . 1 1 56 56 LEU N N 56 117.547 117.547 120.986 -3.439 18433 8873 1 20 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.170 -0.020 18433 8874 1 20 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.307 -0.372 18433 8875 1 20 . 1 1 56 56 LEU CB C 56 40.977 40.977 40.249 0.728 18433 8876 1 20 . 1 1 56 56 LEU H H 56 8.770 8.770 8.848 -0.078 18433 8877 1 20 . 1 1 57 57 GLN N N 57 119.917 119.917 117.535 2.382 18433 8878 1 20 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.043 0.023 18433 8879 1 20 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.902 1.469 18433 8880 1 20 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.297 -0.357 18433 8881 1 20 . 1 1 57 57 GLN H H 57 7.734 7.734 7.716 0.018 18433 8882 1 20 . 1 1 58 58 VAL N N 58 122.347 122.347 118.441 3.906 18433 8883 1 20 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.793 -0.178 18433 8884 1 20 . 1 1 58 58 VAL CA C 58 67.230 67.230 65.770 1.460 18433 8885 1 20 . 1 1 58 58 VAL CB C 58 31.272 31.272 31.525 -0.253 18433 8886 1 20 . 1 1 58 58 VAL H H 58 7.727 7.727 7.935 -0.208 18433 8887 1 20 . 1 1 59 59 VAL N N 59 121.131 121.131 121.433 -0.302 18433 8888 1 20 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.667 -0.261 18433 8889 1 20 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.949 1.099 18433 8890 1 20 . 1 1 59 59 VAL CB C 59 31.542 31.542 31.507 0.035 18433 8891 1 20 . 1 1 59 59 VAL H H 59 8.341 8.341 7.498 0.843 18433 8892 1 20 . 1 1 60 60 ARG N N 60 120.942 120.942 118.076 2.866 18433 8893 1 20 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.141 -0.026 18433 8894 1 20 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.601 -0.188 18433 8895 1 20 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.576 0.165 18433 8896 1 20 . 1 1 60 60 ARG H H 60 8.457 8.457 8.094 0.363 18433 8897 1 20 . 1 1 61 61 TYR N N 61 120.718 120.718 121.343 -0.625 18433 8898 1 20 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.325 0.241 18433 8899 1 20 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.449 -0.695 18433 8900 1 20 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.839 -0.486 18433 8901 1 20 . 1 1 61 61 TYR H H 61 7.833 7.833 7.485 0.348 18433 8902 1 20 . 1 1 62 62 CYS N N 62 114.924 114.924 117.931 -3.007 18433 8903 1 20 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.984 -0.311 18433 8904 1 20 . 1 1 62 62 CYS CA C 62 64.281 64.281 63.106 1.175 18433 8905 1 20 . 1 1 62 62 CYS CB C 62 27.717 27.717 27.428 0.289 18433 8906 1 20 . 1 1 62 62 CYS H H 62 8.079 8.079 8.193 -0.114 18433 8907 1 20 . 1 1 63 63 THR N N 63 114.103 114.103 113.491 0.612 18433 8908 1 20 . 1 1 63 63 THR HA H 63 3.852 3.852 4.014 -0.162 18433 8909 1 20 . 1 1 63 63 THR CA C 63 66.871 66.871 66.013 0.858 18433 8910 1 20 . 1 1 63 63 THR CB C 63 67.762 67.762 68.312 -0.550 18433 8911 1 20 . 1 1 63 63 THR H H 63 8.721 8.721 8.616 0.105 18433 8912 1 20 . 1 1 64 64 ASP N N 64 126.664 126.664 121.139 5.525 18433 8913 1 20 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.522 -0.101 18433 8914 1 20 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.958 0.826 18433 8915 1 20 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.135 -0.894 18433 8916 1 20 . 1 1 64 64 ASP H H 64 8.771 8.771 7.461 1.310 18433 8917 1 20 . 1 1 65 65 LEU N N 65 119.722 119.722 120.978 -1.256 18433 8918 1 20 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.949 -0.077 18433 8919 1 20 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.852 0.399 18433 8920 1 20 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.608 -0.118 18433 8921 1 20 . 1 1 65 65 LEU H H 65 7.850 7.850 7.489 0.361 18433 8922 1 20 . 1 1 66 66 ILE N N 66 119.189 119.189 119.274 -0.085 18433 8923 1 20 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.886 -0.488 18433 8924 1 20 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.705 0.493 18433 8925 1 20 . 1 1 66 66 ILE CB C 66 37.730 37.730 37.971 -0.241 18433 8926 1 20 . 1 1 66 66 ILE H H 66 7.636 7.636 7.417 0.219 18433 8927 1 20 . 1 1 67 67 GLU N N 67 123.166 123.166 117.373 5.793 18433 8928 1 20 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.085 -0.090 18433 8929 1 20 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.610 0.985 18433 8930 1 20 . 1 1 67 67 GLU CB C 67 29.183 29.183 28.904 0.279 18433 8931 1 20 . 1 1 67 67 GLU H H 67 8.512 8.512 7.785 0.727 18433 8932 1 20 . 1 1 68 68 GLU N N 68 116.524 116.524 117.573 -1.049 18433 8933 1 20 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.249 0.046 18433 8934 1 20 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.225 -0.447 18433 8935 1 20 . 1 1 68 68 GLU CB C 68 29.535 29.535 29.930 -0.395 18433 8936 1 20 . 1 1 68 68 GLU H H 68 7.633 7.633 8.240 -0.607 18433 8937 1 20 . 1 1 69 69 LYS N N 69 116.625 116.625 114.994 1.631 18433 8938 1 20 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.116 -0.471 18433 8939 1 20 . 1 1 69 69 LYS CA C 69 57.369 57.369 56.911 0.458 18433 8940 1 20 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.504 0.296 18433 8941 1 20 . 1 1 69 69 LYS H H 69 8.066 8.066 7.863 0.203 18433 8942 1 20 . 1 1 70 70 ASP N N 70 122.727 122.727 118.665 4.062 18433 8943 1 20 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.918 0.122 18433 8944 1 20 . 1 1 70 70 ASP CA C 70 51.396 51.396 52.840 -1.444 18433 8945 1 20 . 1 1 70 70 ASP CB C 70 38.761 38.761 40.931 -2.170 18433 8946 1 20 . 1 1 70 70 ASP H H 70 8.483 8.483 8.558 -0.075 18433 8947 1 20 . 1 1 71 71 LEU N N 71 119.712 119.712 120.518 -0.806 18433 8948 1 20 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.811 0.070 18433 8949 1 20 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.753 -1.241 18433 8950 1 20 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.280 -1.033 18433 8951 1 20 . 1 1 71 71 LEU H H 71 7.515 7.515 8.186 -0.671 18433 8952 1 20 . 1 1 72 72 GLU N N 72 121.320 121.320 119.735 1.585 18433 8953 1 20 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.867 0.181 18433 8954 1 20 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.623 -0.117 18433 8955 1 20 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.314 0.005 18433 8956 1 20 . 1 1 72 72 GLU H H 72 8.561 8.561 8.596 -0.035 18433 8957 1 20 . 1 1 73 73 LYS N N 73 119.338 119.338 118.138 1.200 18433 8958 1 20 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.985 -0.248 18433 8959 1 20 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.404 1.104 18433 8960 1 20 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.319 0.050 18433 8961 1 20 . 1 1 73 73 LYS H H 73 7.448 7.448 7.619 -0.171 18433 8962 1 20 . 1 1 74 74 LEU N N 74 117.830 117.830 123.790 -5.960 18433 8963 1 20 . 1 1 74 74 LEU HA H 74 3.880 3.880 3.995 -0.115 18433 8964 1 20 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.804 -0.862 18433 8965 1 20 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.831 -0.335 18433 8966 1 20 . 1 1 74 74 LEU H H 74 7.516 7.516 7.459 0.057 18433 8967 1 20 . 1 1 75 75 ASP N N 75 117.736 117.736 118.681 -0.945 18433 8968 1 20 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.400 -0.158 18433 8969 1 20 . 1 1 75 75 ASP CA C 75 57.852 57.852 57.573 0.279 18433 8970 1 20 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.760 1.563 18433 8971 1 20 . 1 1 75 75 ASP H H 75 7.828 7.828 7.932 -0.104 18433 8972 1 20 . 1 1 76 76 LEU N N 76 116.254 116.254 120.150 -3.896 18433 8973 1 20 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.172 -0.262 18433 8974 1 20 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.777 0.180 18433 8975 1 20 . 1 1 76 76 LEU CB C 76 41.827 41.827 42.069 -0.242 18433 8976 1 20 . 1 1 76 76 LEU H H 76 7.454 7.454 7.300 0.154 18433 8977 1 20 . 1 1 77 77 VAL N N 77 120.653 120.653 118.687 1.966 18433 8978 1 20 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.899 0.065 18433 8979 1 20 . 1 1 77 77 VAL CA C 77 66.879 66.879 66.046 0.833 18433 8980 1 20 . 1 1 77 77 VAL CB C 77 32.019 32.019 30.958 1.061 18433 8981 1 20 . 1 1 77 77 VAL H H 77 8.626 8.626 8.625 0.001 18433 8982 1 20 . 1 1 78 78 ILE N N 78 122.189 122.189 120.653 1.536 18433 8983 1 20 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.998 -0.012 18433 8984 1 20 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.401 -0.561 18433 8985 1 20 . 1 1 78 78 ILE CB C 78 35.672 35.672 37.100 -1.428 18433 8986 1 20 . 1 1 78 78 ILE H H 78 8.755 8.755 8.941 -0.186 18433 8987 1 20 . 1 1 79 79 LYS N N 79 119.030 119.030 120.544 -1.514 18433 8988 1 20 . 1 1 79 79 LYS HA H 79 3.881 3.881 3.997 -0.116 18433 8989 1 20 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.926 1.512 18433 8990 1 20 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.679 0.943 18433 8991 1 20 . 1 1 79 79 LYS H H 79 8.413 8.413 8.028 0.385 18433 8992 1 20 . 1 1 80 80 TYR N N 80 121.226 121.226 121.321 -0.095 18433 8993 1 20 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.266 0.042 18433 8994 1 20 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.332 0.672 18433 8995 1 20 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.401 -0.390 18433 8996 1 20 . 1 1 80 80 TYR H H 80 8.205 8.205 7.950 0.255 18433 8997 1 20 . 1 1 81 81 MET N N 81 116.428 116.428 117.748 -1.320 18433 8998 1 20 . 1 1 81 81 MET HA H 81 3.711 3.711 4.149 -0.438 18433 8999 1 20 . 1 1 81 81 MET CA C 81 60.733 60.733 58.907 1.826 18433 9000 1 20 . 1 1 81 81 MET CB C 81 33.894 33.894 32.949 0.945 18433 9001 1 20 . 1 1 81 81 MET H H 81 8.578 8.578 8.406 0.172 18433 9002 1 20 . 1 1 82 82 LYS N N 82 119.778 119.778 119.107 0.671 18433 9003 1 20 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.365 -0.672 18433 9004 1 20 . 1 1 82 82 LYS CA C 82 59.983 59.983 58.514 1.469 18433 9005 1 20 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.005 1.786 18433 9006 1 20 . 1 1 82 82 LYS H H 82 8.594 8.594 8.378 0.216 18433 9007 1 20 . 1 1 83 83 ARG N N 83 116.474 116.474 119.385 -2.911 18433 9008 1 20 . 1 1 83 83 ARG HA H 83 3.854 3.854 4.046 -0.192 18433 9009 1 20 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.480 0.000 18433 9010 1 20 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.660 -0.058 18433 9011 1 20 . 1 1 83 83 ARG H H 83 7.145 7.145 7.344 -0.199 18433 9012 1 20 . 1 1 84 84 LEU N N 84 116.576 116.576 120.804 -4.228 18433 9013 1 20 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.912 -0.084 18433 9014 1 20 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.015 -0.081 18433 9015 1 20 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.928 1.111 18433 9016 1 20 . 1 1 84 84 LEU H H 84 7.284 7.284 7.044 0.240 18433 9017 1 20 . 1 1 85 85 MET N N 85 115.841 115.841 114.735 1.106 18433 9018 1 20 . 1 1 85 85 MET HA H 85 3.756 3.756 3.647 0.109 18433 9019 1 20 . 1 1 85 85 MET CA C 85 59.260 59.260 58.349 0.910 18433 9020 1 20 . 1 1 85 85 MET CB C 85 32.487 32.487 32.283 0.204 18433 9021 1 20 . 1 1 85 85 MET H H 85 8.683 8.683 7.697 0.986 18433 9022 1 20 . 1 1 86 86 GLN N N 86 114.640 114.640 113.875 0.765 18433 9023 1 20 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.287 0.074 18433 9024 1 20 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.479 -0.622 18433 9025 1 20 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.547 -1.917 18433 9026 1 20 . 1 1 86 86 GLN H H 86 7.513 7.513 7.435 0.078 18433 9027 1 20 . 1 1 87 87 GLN N N 87 117.352 117.352 116.516 0.836 18433 9028 1 20 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.338 -0.116 18433 9029 1 20 . 1 1 87 87 GLN CA C 87 56.334 56.334 55.713 0.621 18433 9030 1 20 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.765 0.374 18433 9031 1 20 . 1 1 87 87 GLN H H 87 7.277 7.277 7.424 -0.147 18433 9032 1 20 . 1 1 88 88 SER N N 88 113.778 113.778 116.580 -2.802 18433 9033 1 20 . 1 1 88 88 SER HA H 88 4.431 4.431 4.337 0.094 18433 9034 1 20 . 1 1 88 88 SER CA C 88 58.372 58.372 59.223 -0.851 18433 9035 1 20 . 1 1 88 88 SER CB C 88 63.525 63.525 63.942 -0.417 18433 9036 1 20 . 1 1 88 88 SER H H 88 7.482 7.482 7.456 0.026 18433 9037 1 20 . 1 1 89 89 VAL N N 89 120.934 120.934 118.927 2.007 18433 9038 1 20 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.164 -0.001 18433 9039 1 20 . 1 1 89 89 VAL CA C 89 62.661 62.661 63.435 -0.774 18433 9040 1 20 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.360 -0.388 18433 9041 1 20 . 1 1 89 89 VAL H H 89 8.188 8.188 8.596 -0.408 18433 9042 1 20 . 1 1 90 90 GLU N N 90 120.714 120.714 120.880 -0.166 18433 9043 1 20 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.492 -0.051 18433 9044 1 20 . 1 1 90 90 GLU CA C 90 55.945 55.945 55.371 0.574 18433 9045 1 20 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.529 0.078 18433 9046 1 20 . 1 1 90 90 GLU H H 90 8.411 8.411 8.129 0.282 18433 9047 1 20 . 1 1 91 91 SER HA H 91 4.451 4.451 4.204 0.247 18433 9048 1 20 . 1 1 91 91 SER CA C 91 59.681 59.681 61.588 -1.907 18433 9049 1 20 . 1 1 91 91 SER CB C 91 63.893 63.893 63.077 0.816 18433 9050 1 20 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.701 0.311 18433 9051 1 20 . 1 1 92 92 VAL CA C 92 64.738 64.738 65.810 -1.072 18433 9052 1 20 . 1 1 92 92 VAL CB C 92 31.013 31.013 31.575 -0.562 18433 9053 1 20 . 1 1 93 93 TRP N N 93 121.614 121.614 118.860 2.754 18433 9054 1 20 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.247 0.252 18433 9055 1 20 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.550 -0.874 18433 9056 1 20 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.206 0.651 18433 9057 1 20 . 1 1 93 93 TRP H H 93 7.551 7.551 8.041 -0.490 18433 9058 1 20 . 1 1 94 94 ASN N N 94 119.013 119.013 116.983 2.030 18433 9059 1 20 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.468 -0.073 18433 9060 1 20 . 1 1 94 94 ASN CA C 94 57.238 57.238 57.029 0.209 18433 9061 1 20 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.412 0.335 18433 9062 1 20 . 1 1 94 94 ASN H H 94 7.794 7.794 8.155 -0.361 18433 9063 1 20 . 1 1 95 95 MET N N 95 117.158 117.158 118.225 -1.067 18433 9064 1 20 . 1 1 95 95 MET HA H 95 4.346 4.346 4.404 -0.058 18433 9065 1 20 . 1 1 95 95 MET CA C 95 58.445 58.445 58.377 0.068 18433 9066 1 20 . 1 1 95 95 MET CB C 95 32.436 32.436 32.391 0.046 18433 9067 1 20 . 1 1 95 95 MET H H 95 7.751 7.751 7.531 0.220 18433 9068 1 20 . 1 1 96 96 ALA N N 96 123.406 123.406 123.332 0.074 18433 9069 1 20 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.097 0.110 18433 9070 1 20 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.331 0.113 18433 9071 1 20 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.364 -0.859 18433 9072 1 20 . 1 1 96 96 ALA H H 96 7.920 7.920 7.807 0.113 18433 9073 1 20 . 1 1 97 97 PHE N N 97 117.830 117.830 119.155 -1.325 18433 9074 1 20 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.322 -0.118 18433 9075 1 20 . 1 1 97 97 PHE CA C 97 62.853 62.853 60.466 2.387 18433 9076 1 20 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.107 -0.960 18433 9077 1 20 . 1 1 97 97 PHE H H 97 8.431 8.431 8.149 0.282 18433 9078 1 20 . 1 1 98 98 ASP N N 98 118.570 118.570 120.085 -1.515 18433 9079 1 20 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.026 0.222 18433 9080 1 20 . 1 1 98 98 ASP CA C 98 57.702 57.702 57.208 0.494 18433 9081 1 20 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.832 -0.432 18433 9082 1 20 . 1 1 98 98 ASP H H 98 7.805 7.805 7.773 0.032 18433 9083 1 20 . 1 1 99 99 PHE N N 99 119.874 119.874 121.126 -1.252 18433 9084 1 20 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.117 0.177 18433 9085 1 20 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.453 -0.270 18433 9086 1 20 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.154 0.328 18433 9087 1 20 . 1 1 99 99 PHE H H 99 7.920 7.920 7.977 -0.057 18433 9088 1 20 . 1 1 100 100 ILE N N 100 122.589 122.589 119.272 3.317 18433 9089 1 20 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.487 -0.084 18433 9090 1 20 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.788 0.309 18433 9091 1 20 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.921 0.771 18433 9092 1 20 . 1 1 100 100 ILE H H 100 8.573 8.573 7.755 0.818 18433 9093 1 20 . 1 1 101 101 LEU N N 101 119.531 119.531 119.946 -0.415 18433 9094 1 20 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.793 -0.079 18433 9095 1 20 . 1 1 101 101 LEU CA C 101 57.998 57.998 58.063 -0.065 18433 9096 1 20 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.182 -0.475 18433 9097 1 20 . 1 1 101 101 LEU H H 101 8.716 8.716 7.521 1.195 18433 9098 1 20 . 1 1 102 102 ASP N N 102 118.371 118.371 119.344 -0.973 18433 9099 1 20 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.328 -0.077 18433 9100 1 20 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.905 0.588 18433 9101 1 20 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.544 0.235 18433 9102 1 20 . 1 1 102 102 ASP H H 102 8.343 8.343 8.348 -0.005 18433 9103 1 20 . 1 1 103 103 ASN N N 103 115.409 115.409 116.191 -0.782 18433 9104 1 20 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.627 -0.494 18433 9105 1 20 . 1 1 103 103 ASN CA C 103 57.079 57.079 54.773 2.306 18433 9106 1 20 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.408 -0.418 18433 9107 1 20 . 1 1 103 103 ASN H H 103 7.393 7.393 7.232 0.161 18433 9108 1 20 . 1 1 104 104 VAL N N 104 119.972 119.972 121.982 -2.010 18433 9109 1 20 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.751 -0.334 18433 9110 1 20 . 1 1 104 104 VAL CA C 104 66.949 66.949 66.764 0.185 18433 9111 1 20 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.410 0.412 18433 9112 1 20 . 1 1 104 104 VAL H H 104 8.299 8.299 8.566 -0.267 18433 9113 1 20 . 1 1 105 105 GLN N N 105 118.449 118.449 118.061 0.388 18433 9114 1 20 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.993 0.401 18433 9115 1 20 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.781 0.240 18433 9116 1 20 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.868 0.722 18433 9117 1 20 . 1 1 105 105 GLN H H 105 8.763 8.763 8.101 0.662 18433 9118 1 20 . 1 1 106 106 VAL N N 106 118.643 118.643 120.012 -1.369 18433 9119 1 20 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.766 -0.052 18433 9120 1 20 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.121 0.287 18433 9121 1 20 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.419 0.278 18433 9122 1 20 . 1 1 106 106 VAL H H 106 7.607 7.607 7.664 -0.057 18433 9123 1 20 . 1 1 107 107 VAL N N 107 120.205 120.205 119.922 0.283 18433 9124 1 20 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.782 -0.053 18433 9125 1 20 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.521 0.852 18433 9126 1 20 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.390 -0.072 18433 9127 1 20 . 1 1 107 107 VAL H H 107 7.329 7.329 7.295 0.034 18433 9128 1 20 . 1 1 108 108 LEU N N 108 123.706 123.706 120.708 2.998 18433 9129 1 20 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.250 -0.227 18433 9130 1 20 . 1 1 108 108 LEU CA C 108 58.902 58.902 58.289 0.613 18433 9131 1 20 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.218 0.757 18433 9132 1 20 . 1 1 108 108 LEU H H 108 8.742 8.742 8.428 0.314 18433 9133 1 20 . 1 1 109 109 GLN N N 109 119.622 119.622 118.928 0.694 18433 9134 1 20 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.129 -0.148 18433 9135 1 20 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.870 0.196 18433 9136 1 20 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.720 -0.453 18433 9137 1 20 . 1 1 109 109 GLN H H 109 8.456 8.456 7.956 0.500 18433 9138 1 20 . 1 1 110 110 GLN N N 110 117.492 117.492 117.303 0.189 18433 9139 1 20 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.082 -0.008 18433 9140 1 20 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.147 -0.071 18433 9141 1 20 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.585 0.107 18433 9142 1 20 . 1 1 110 110 GLN H H 110 8.060 8.060 7.862 0.198 18433 9143 1 20 . 1 1 111 111 THR N N 111 112.944 112.944 114.356 -1.412 18433 9144 1 20 . 1 1 111 111 THR HA H 111 4.017 4.017 4.052 -0.035 18433 9145 1 20 . 1 1 111 111 THR CA C 111 65.020 65.020 65.152 -0.132 18433 9146 1 20 . 1 1 111 111 THR CB C 111 69.543 69.543 69.589 -0.046 18433 9147 1 20 . 1 1 111 111 THR H H 111 7.934 7.934 7.443 0.491 18433 9148 1 20 . 1 1 112 112 TYR N N 112 118.273 118.273 117.315 0.958 18433 9149 1 20 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.505 0.192 18433 9150 1 20 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.493 -0.073 18433 9151 1 20 . 1 1 112 112 TYR CB C 112 40.341 40.341 40.406 -0.065 18433 9152 1 20 . 1 1 112 112 TYR H H 112 8.404 8.404 8.172 0.232 18433 9153 1 20 . 1 1 113 113 GLY N N 113 109.593 109.593 106.040 3.553 18433 9154 1 20 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.162 0.847 18433 9155 1 20 . 1 1 113 113 GLY H H 113 7.990 7.990 7.986 0.004 18433 9156 1 20 . 1 1 114 114 SER N N 114 113.965 113.965 114.974 -1.009 18433 9157 1 20 . 1 1 114 114 SER HA H 114 4.630 4.630 4.589 0.041 18433 9158 1 20 . 1 1 114 114 SER CA C 114 57.356 57.356 57.545 -0.189 18433 9159 1 20 . 1 1 114 114 SER CB C 114 64.543 64.543 64.592 -0.049 18433 9160 1 20 . 1 1 114 114 SER H H 114 7.636 7.636 7.872 -0.236 18433 9161 1 20 . 1 1 115 115 THR N N 115 110.456 110.456 108.666 1.790 18433 9162 1 20 . 1 1 115 115 THR HA H 115 4.406 4.406 4.657 -0.251 18433 9163 1 20 . 1 1 115 115 THR CA C 115 61.125 61.125 60.716 0.409 18433 9164 1 20 . 1 1 115 115 THR CB C 115 70.288 70.288 71.042 -0.754 18433 9165 1 20 . 1 1 115 115 THR H H 115 7.828 7.828 7.873 -0.045 18433 9166 1 20 . 1 1 116 116 LEU N N 116 123.832 123.832 121.745 2.087 18433 9167 1 20 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.565 -0.259 18433 9168 1 20 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.512 0.371 18433 9169 1 20 . 1 1 116 116 LEU CB C 116 42.795 42.795 44.063 -1.268 18433 9170 1 20 . 1 1 116 116 LEU H H 116 8.741 8.741 8.390 0.351 18433 9171 1 20 . 1 1 117 117 LYS N N 117 124.713 124.713 123.346 1.367 18433 9172 1 20 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.486 -0.073 18433 9173 1 20 . 1 1 117 117 LYS CA C 117 55.551 55.551 55.719 -0.168 18433 9174 1 20 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.311 1.240 18433 9175 1 20 . 1 1 117 117 LYS H H 117 8.479 8.479 8.555 -0.076 18433 9176 1 20 . 1 1 118 118 VAL N N 118 122.419 122.419 123.119 -0.700 18433 9177 1 20 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.663 -0.421 18433 9178 1 20 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.423 0.532 18433 9179 1 20 . 1 1 118 118 VAL CB C 118 32.837 32.837 31.365 1.472 18433 9180 1 20 . 1 1 118 118 VAL H H 118 8.268 8.268 8.577 -0.309 18433 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 89 2.429 -0.046 2.443 18433 2 1 1 "Average Difference" HA 97 0.288 0.057 0.284 18433 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18433 4 1 1 "Average Difference" CA 95 0.916 -0.148 0.909 18433 5 1 1 "Average Difference" CB 93 0.946 -0.038 0.950 18433 6 1 1 "Average Difference" HN 89 0.489 -0.135 0.473 18433 7 1 2 "Average Difference" N 89 2.415 -0.003 2.428 18433 8 1 2 "Average Difference" HA 97 0.302 0.071 0.295 18433 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18433 10 1 2 "Average Difference" CA 95 0.898 -0.219 0.875 18433 11 1 2 "Average Difference" CB 93 1.004 -0.065 1.008 18433 12 1 2 "Average Difference" HN 89 0.469 -0.129 0.454 18433 13 1 3 "Average Difference" N 89 2.355 -0.044 2.368 18433 14 1 3 "Average Difference" HA 97 0.296 0.067 0.289 18433 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18433 16 1 3 "Average Difference" CA 95 0.905 -0.122 0.901 18433 17 1 3 "Average Difference" CB 93 1.000 -0.062 1.003 18433 18 1 3 "Average Difference" HN 89 0.443 -0.120 0.429 18433 19 1 4 "Average Difference" N 89 2.416 -0.121 2.427 18433 20 1 4 "Average Difference" HA 97 0.295 0.067 0.289 18433 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18433 22 1 4 "Average Difference" CA 95 0.927 -0.183 0.913 18433 23 1 4 "Average Difference" CB 93 0.952 -0.027 0.957 18433 24 1 4 "Average Difference" HN 89 0.459 -0.132 0.442 18433 25 1 5 "Average Difference" N 89 2.354 -0.009 2.367 18433 26 1 5 "Average Difference" HA 97 0.300 0.071 0.293 18433 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18433 28 1 5 "Average Difference" CA 95 0.901 -0.144 0.894 18433 29 1 5 "Average Difference" CB 93 0.997 -0.064 1.001 18433 30 1 5 "Average Difference" HN 89 0.451 -0.121 0.437 18433 31 1 6 "Average Difference" N 89 2.405 0.063 2.418 18433 32 1 6 "Average Difference" HA 97 0.302 0.067 0.296 18433 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18433 34 1 6 "Average Difference" CA 95 0.956 -0.167 0.946 18433 35 1 6 "Average Difference" CB 93 0.990 -0.084 0.992 18433 36 1 6 "Average Difference" HN 89 0.468 -0.134 0.451 18433 37 1 7 "Average Difference" N 89 2.421 -0.046 2.435 18433 38 1 7 "Average Difference" HA 97 0.292 0.071 0.285 18433 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18433 40 1 7 "Average Difference" CA 95 0.923 -0.213 0.903 18433 41 1 7 "Average Difference" CB 93 0.933 -0.050 0.936 18433 42 1 7 "Average Difference" HN 89 0.490 -0.152 0.468 18433 43 1 8 "Average Difference" N 89 2.409 -0.045 2.422 18433 44 1 8 "Average Difference" HA 97 0.294 0.073 0.287 18433 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18433 46 1 8 "Average Difference" CA 95 0.989 -0.228 0.967 18433 47 1 8 "Average Difference" CB 93 0.942 -0.059 0.946 18433 48 1 8 "Average Difference" HN 89 0.467 -0.152 0.445 18433 49 1 9 "Average Difference" N 89 2.332 -0.013 2.345 18433 50 1 9 "Average Difference" HA 97 0.299 0.061 0.294 18433 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18433 52 1 9 "Average Difference" CA 95 0.892 -0.144 0.884 18433 53 1 9 "Average Difference" CB 93 0.972 -0.046 0.976 18433 54 1 9 "Average Difference" HN 89 0.469 -0.118 0.456 18433 55 1 10 "Average Difference" N 89 2.511 -0.071 2.524 18433 56 1 10 "Average Difference" HA 97 0.291 0.070 0.284 18433 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18433 58 1 10 "Average Difference" CA 95 0.939 -0.198 0.923 18433 59 1 10 "Average Difference" CB 93 0.992 -0.009 0.998 18433 60 1 10 "Average Difference" HN 89 0.475 -0.151 0.453 18433 61 1 11 "Average Difference" N 89 2.558 -0.110 2.570 18433 62 1 11 "Average Difference" HA 97 0.290 0.067 0.284 18433 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18433 64 1 11 "Average Difference" CA 95 0.874 -0.167 0.862 18433 65 1 11 "Average Difference" CB 93 0.974 -0.068 0.977 18433 66 1 11 "Average Difference" HN 89 0.472 -0.139 0.454 18433 67 1 12 "Average Difference" N 89 2.485 -0.005 2.499 18433 68 1 12 "Average Difference" HA 97 0.293 0.069 0.286 18433 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18433 70 1 12 "Average Difference" CA 95 0.944 -0.212 0.924 18433 71 1 12 "Average Difference" CB 93 0.983 -0.051 0.987 18433 72 1 12 "Average Difference" HN 89 0.499 -0.145 0.480 18433 73 1 13 "Average Difference" N 89 2.465 -0.011 2.479 18433 74 1 13 "Average Difference" HA 97 0.295 0.070 0.288 18433 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18433 76 1 13 "Average Difference" CA 95 0.947 -0.206 0.929 18433 77 1 13 "Average Difference" CB 93 0.980 -0.083 0.981 18433 78 1 13 "Average Difference" HN 89 0.493 -0.117 0.482 18433 79 1 14 "Average Difference" N 89 2.398 -0.042 2.411 18433 80 1 14 "Average Difference" HA 97 0.290 0.069 0.283 18433 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18433 82 1 14 "Average Difference" CA 95 1.001 -0.236 0.978 18433 83 1 14 "Average Difference" CB 93 0.978 -0.041 0.983 18433 84 1 14 "Average Difference" HN 89 0.500 -0.132 0.485 18433 85 1 15 "Average Difference" N 89 2.537 -0.053 2.551 18433 86 1 15 "Average Difference" HA 97 0.291 0.077 0.283 18433 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18433 88 1 15 "Average Difference" CA 95 0.979 -0.209 0.961 18433 89 1 15 "Average Difference" CB 93 0.965 -0.086 0.966 18433 90 1 15 "Average Difference" HN 89 0.504 -0.135 0.489 18433 91 1 16 "Average Difference" N 89 2.371 -0.082 2.383 18433 92 1 16 "Average Difference" HA 97 0.290 0.070 0.283 18433 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18433 94 1 16 "Average Difference" CA 95 0.874 -0.227 0.848 18433 95 1 16 "Average Difference" CB 93 0.959 -0.003 0.964 18433 96 1 16 "Average Difference" HN 89 0.467 -0.128 0.451 18433 97 1 17 "Average Difference" N 89 2.358 0.036 2.371 18433 98 1 17 "Average Difference" HA 97 0.294 0.079 0.285 18433 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18433 100 1 17 "Average Difference" CA 95 0.961 -0.223 0.940 18433 101 1 17 "Average Difference" CB 93 0.981 -0.112 0.980 18433 102 1 17 "Average Difference" HN 89 0.499 -0.137 0.483 18433 103 1 18 "Average Difference" N 89 2.489 0.038 2.502 18433 104 1 18 "Average Difference" HA 97 0.290 0.080 0.280 18433 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18433 106 1 18 "Average Difference" CA 95 0.977 -0.197 0.962 18433 107 1 18 "Average Difference" CB 93 0.988 -0.083 0.990 18433 108 1 18 "Average Difference" HN 89 0.474 -0.114 0.463 18433 109 1 19 "Average Difference" N 89 2.418 -0.101 2.430 18433 110 1 19 "Average Difference" HA 97 0.294 0.076 0.286 18433 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18433 112 1 19 "Average Difference" CA 95 0.911 -0.263 0.877 18433 113 1 19 "Average Difference" CB 93 0.974 -0.039 0.979 18433 114 1 19 "Average Difference" HN 89 0.484 -0.139 0.467 18433 115 1 20 "Average Difference" N 89 2.425 -0.011 2.439 18433 116 1 20 "Average Difference" HA 97 0.296 0.071 0.289 18433 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18433 118 1 20 "Average Difference" CA 95 0.935 -0.177 0.923 18433 119 1 20 "Average Difference" CB 93 0.983 -0.069 0.986 18433 120 1 20 "Average Difference" HN 89 0.462 -0.138 0.443 18433 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 18433 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 24 24 ALA N N 24 123.308 123.308 123.895 -0.587 18433 2 1 . 1 1 24 24 ALA HA H 24 4.544 4.544 4.821 -0.277 18433 3 1 . 1 1 24 24 ALA CA C 24 50.311 50.311 49.967 0.344 18433 4 1 . 1 1 24 24 ALA CB C 24 18.597 18.597 19.519 -0.922 18433 5 1 . 1 1 24 24 ALA H H 24 7.820 7.820 8.093 -0.273 18433 6 1 . 1 1 25 25 PRO HA H 25 4.638 4.638 4.395 0.243 18433 7 1 . 1 1 25 25 PRO CA C 25 63.251 63.251 62.928 0.323 18433 8 1 . 1 1 25 25 PRO CB C 25 31.862 31.862 30.267 1.595 18433 9 1 . 1 1 26 26 ASN N N 26 120.016 120.016 120.422 -0.406 18433 10 1 . 1 1 26 26 ASN HA H 26 5.227 5.227 5.508 -0.281 18433 11 1 . 1 1 26 26 ASN CA C 26 52.623 52.623 52.115 0.508 18433 12 1 . 1 1 26 26 ASN CB C 26 44.139 44.139 42.206 1.932 18433 13 1 . 1 1 26 26 ASN H H 26 9.079 9.079 8.133 0.946 18433 14 1 . 1 1 27 27 LEU N N 27 123.375 123.375 123.673 -0.298 18433 15 1 . 1 1 27 27 LEU HA H 27 4.237 4.237 4.469 -0.232 18433 16 1 . 1 1 27 27 LEU CA C 27 52.303 52.303 53.222 -0.919 18433 17 1 . 1 1 27 27 LEU CB C 27 42.817 42.817 42.730 0.087 18433 18 1 . 1 1 27 27 LEU H H 27 8.098 8.098 8.532 -0.434 18433 19 1 . 1 1 28 28 ALA N N 28 126.889 126.889 129.534 -2.645 18433 20 1 . 1 1 28 28 ALA HA H 28 3.674 3.674 3.956 -0.282 18433 21 1 . 1 1 28 28 ALA CA C 28 52.381 52.381 52.815 -0.434 18433 22 1 . 1 1 28 28 ALA CB C 28 18.929 18.929 17.103 1.826 18433 23 1 . 1 1 28 28 ALA H H 28 9.215 9.215 8.970 0.245 18433 24 1 . 1 1 29 29 GLY N N 29 102.532 102.532 102.175 0.357 18433 25 1 . 1 1 29 29 GLY CA C 29 44.838 44.838 44.730 0.108 18433 26 1 . 1 1 29 29 GLY H H 29 7.943 7.943 8.394 -0.451 18433 27 1 . 1 1 30 30 ALA N N 30 125.002 125.002 122.111 2.891 18433 28 1 . 1 1 30 30 ALA HA H 30 4.251 4.251 4.688 -0.437 18433 29 1 . 1 1 30 30 ALA CA C 30 52.148 52.148 50.747 1.401 18433 30 1 . 1 1 30 30 ALA CB C 30 19.434 19.434 20.316 -0.882 18433 31 1 . 1 1 30 30 ALA H H 30 8.040 8.040 7.584 0.456 18433 32 1 . 1 1 31 31 VAL N N 31 119.492 119.492 124.487 -4.995 18433 33 1 . 1 1 31 31 VAL HA H 31 4.268 4.268 4.108 0.160 18433 34 1 . 1 1 31 31 VAL CA C 31 62.397 62.397 63.626 -1.229 18433 35 1 . 1 1 31 31 VAL CB C 31 34.958 34.958 32.582 2.376 18433 36 1 . 1 1 31 31 VAL H H 31 8.415 8.415 8.610 -0.195 18433 37 1 . 1 1 32 32 GLU N N 32 122.142 122.142 119.140 3.002 18433 38 1 . 1 1 32 32 GLU HA H 32 4.274 4.274 4.323 -0.049 18433 39 1 . 1 1 32 32 GLU CA C 32 56.196 56.196 56.313 -0.117 18433 40 1 . 1 1 32 32 GLU CB C 32 29.339 29.339 30.428 -1.089 18433 41 1 . 1 1 32 32 GLU H H 32 8.757 8.757 7.938 0.819 18433 42 1 . 1 1 33 33 PHE HA H 33 4.255 4.255 4.200 0.055 18433 43 1 . 1 1 33 33 PHE CA C 33 61.336 61.336 61.753 -0.417 18433 44 1 . 1 1 33 33 PHE CB C 33 38.644 38.644 39.411 -0.767 18433 45 1 . 1 1 34 34 SER N N 34 112.028 112.028 113.828 -1.800 18433 46 1 . 1 1 34 34 SER HA H 34 3.652 3.652 3.717 -0.065 18433 47 1 . 1 1 34 34 SER CA C 34 61.642 61.642 61.486 0.156 18433 48 1 . 1 1 34 34 SER CB C 34 61.807 61.807 62.231 -0.424 18433 49 1 . 1 1 34 34 SER H H 34 8.902 8.902 8.547 0.355 18433 50 1 . 1 1 35 35 ASP N N 35 121.321 121.321 119.978 1.343 18433 51 1 . 1 1 35 35 ASP HA H 35 4.498 4.498 4.446 0.052 18433 52 1 . 1 1 35 35 ASP CA C 35 56.560 56.560 56.562 -0.002 18433 53 1 . 1 1 35 35 ASP CB C 35 41.227 41.227 40.426 0.801 18433 54 1 . 1 1 35 35 ASP H H 35 6.930 6.930 8.003 -1.073 18433 55 1 . 1 1 36 36 VAL N N 36 123.532 123.532 119.826 3.706 18433 56 1 . 1 1 36 36 VAL HA H 36 3.248 3.248 3.494 -0.246 18433 57 1 . 1 1 36 36 VAL CA C 36 67.358 67.358 65.930 1.428 18433 58 1 . 1 1 36 36 VAL CB C 36 32.092 32.092 31.551 0.541 18433 59 1 . 1 1 36 36 VAL H H 36 8.014 8.014 7.527 0.487 18433 60 1 . 1 1 37 37 LYS N N 37 118.036 118.036 117.830 0.206 18433 61 1 . 1 1 37 37 LYS HA H 37 3.467 3.467 3.595 -0.128 18433 62 1 . 1 1 37 37 LYS CA C 37 60.249 60.249 59.315 0.934 18433 63 1 . 1 1 37 37 LYS CB C 37 31.309 31.309 30.510 0.799 18433 64 1 . 1 1 37 37 LYS H H 37 8.384 8.384 7.870 0.514 18433 65 1 . 1 1 38 38 THR N N 38 115.765 115.765 116.794 -1.029 18433 66 1 . 1 1 38 38 THR HA H 38 3.872 3.872 4.063 -0.191 18433 67 1 . 1 1 38 38 THR CA C 38 66.652 66.652 66.401 0.251 18433 68 1 . 1 1 38 38 THR CB C 38 68.664 68.664 68.627 0.037 18433 69 1 . 1 1 38 38 THR H H 38 7.344 7.344 7.329 0.015 18433 70 1 . 1 1 39 39 LEU N N 39 123.362 123.362 121.453 1.909 18433 71 1 . 1 1 39 39 LEU HA H 39 4.347 4.347 4.335 0.012 18433 72 1 . 1 1 39 39 LEU CA C 39 58.257 58.257 57.624 0.633 18433 73 1 . 1 1 39 39 LEU CB C 39 43.306 43.306 41.676 1.630 18433 74 1 . 1 1 39 39 LEU H H 39 7.701 7.701 7.398 0.303 18433 75 1 . 1 1 40 40 LEU N N 40 118.128 118.128 119.826 -1.698 18433 76 1 . 1 1 40 40 LEU HA H 40 4.375 4.375 4.145 0.230 18433 77 1 . 1 1 40 40 LEU CA C 40 58.311 58.311 58.237 0.074 18433 78 1 . 1 1 40 40 LEU CB C 40 42.788 42.788 41.440 1.348 18433 79 1 . 1 1 40 40 LEU H H 40 8.434 8.434 7.836 0.598 18433 80 1 . 1 1 41 41 LYS N N 41 117.838 117.838 119.261 -1.423 18433 81 1 . 1 1 41 41 LYS HA H 41 3.862 3.862 3.850 0.012 18433 82 1 . 1 1 41 41 LYS CA C 41 59.896 59.896 59.882 0.014 18433 83 1 . 1 1 41 41 LYS CB C 41 31.696 31.696 32.628 -0.932 18433 84 1 . 1 1 41 41 LYS H H 41 8.571 8.571 8.394 0.177 18433 85 1 . 1 1 42 42 GLU N N 42 122.248 122.248 117.103 5.145 18433 86 1 . 1 1 42 42 GLU HA H 42 3.891 3.891 4.220 -0.329 18433 87 1 . 1 1 42 42 GLU CA C 42 59.946 59.946 58.233 1.713 18433 88 1 . 1 1 42 42 GLU CB C 42 29.603 29.603 29.406 0.197 18433 89 1 . 1 1 42 42 GLU H H 42 8.276 8.276 7.800 0.476 18433 90 1 . 1 1 43 43 TRP N N 43 123.115 123.115 122.048 1.067 18433 91 1 . 1 1 43 43 TRP HA H 43 3.025 3.025 4.473 -1.448 18433 92 1 . 1 1 43 43 TRP CA C 43 58.805 58.805 60.536 -1.731 18433 93 1 . 1 1 43 43 TRP CB C 43 28.652 28.652 29.464 -0.812 18433 94 1 . 1 1 43 43 TRP H H 43 8.318 8.318 8.060 0.258 18433 95 1 . 1 1 44 44 ILE N N 44 112.941 112.941 114.282 -1.341 18433 96 1 . 1 1 44 44 ILE HA H 44 2.539 2.539 3.479 -0.940 18433 97 1 . 1 1 44 44 ILE CA C 44 62.441 62.441 61.083 1.358 18433 98 1 . 1 1 44 44 ILE CB C 44 38.393 38.393 37.982 0.412 18433 99 1 . 1 1 44 44 ILE H H 44 7.567 7.567 7.465 0.102 18433 100 1 . 1 1 45 45 THR N N 45 106.451 106.451 112.490 -6.039 18433 101 1 . 1 1 45 45 THR HA H 45 4.080 4.080 4.291 -0.211 18433 102 1 . 1 1 45 45 THR CA C 45 63.681 63.681 64.286 -0.606 18433 103 1 . 1 1 45 45 THR CB C 45 70.147 70.147 69.457 0.690 18433 104 1 . 1 1 45 45 THR H H 45 7.653 7.653 7.586 0.067 18433 105 1 . 1 1 46 46 THR N N 46 110.600 110.600 116.525 -5.925 18433 106 1 . 1 1 46 46 THR HA H 46 4.557 4.557 4.232 0.325 18433 107 1 . 1 1 46 46 THR CA C 46 62.972 62.972 65.003 -2.031 18433 108 1 . 1 1 46 46 THR CB C 46 71.039 71.039 69.329 1.710 18433 109 1 . 1 1 46 46 THR H H 46 7.502 7.502 8.166 -0.664 18433 110 1 . 1 1 47 47 ILE N N 47 124.370 124.370 120.974 3.396 18433 111 1 . 1 1 47 47 ILE HA H 47 4.473 4.473 4.336 0.137 18433 112 1 . 1 1 47 47 ILE CA C 47 58.603 58.603 60.647 -2.044 18433 113 1 . 1 1 47 47 ILE CB C 47 36.501 36.501 40.709 -4.208 18433 114 1 . 1 1 47 47 ILE H H 47 7.533 7.533 7.380 0.153 18433 115 1 . 1 1 48 48 SER N N 48 119.846 119.846 121.175 -1.329 18433 116 1 . 1 1 48 48 SER HA H 48 4.498 4.498 4.743 -0.245 18433 117 1 . 1 1 48 48 SER CA C 48 59.280 59.280 59.138 0.142 18433 118 1 . 1 1 48 48 SER CB C 48 63.813 63.813 64.427 -0.614 18433 119 1 . 1 1 48 48 SER H H 48 8.423 8.423 8.712 -0.289 18433 120 1 . 1 1 49 49 ASP N N 49 119.475 119.475 121.184 -1.709 18433 121 1 . 1 1 49 49 ASP HA H 49 4.799 4.799 4.733 0.066 18433 122 1 . 1 1 49 49 ASP CA C 49 50.804 50.804 51.209 -0.405 18433 123 1 . 1 1 49 49 ASP CB C 49 41.481 41.481 41.237 0.244 18433 124 1 . 1 1 49 49 ASP H H 49 7.298 7.298 7.958 -0.660 18433 125 1 . 1 1 50 50 PRO HA H 50 4.168 4.168 4.496 -0.328 18433 126 1 . 1 1 50 50 PRO CA C 50 61.912 61.912 62.647 -0.735 18433 127 1 . 1 1 50 50 PRO CB C 50 31.747 31.747 32.492 -0.745 18433 128 1 . 1 1 51 51 MET N N 51 121.983 121.983 121.166 0.817 18433 129 1 . 1 1 51 51 MET HA H 51 4.492 4.492 4.597 -0.105 18433 130 1 . 1 1 51 51 MET CA C 51 55.165 55.165 54.478 0.687 18433 131 1 . 1 1 51 51 MET CB C 51 33.974 33.974 34.821 -0.847 18433 132 1 . 1 1 51 51 MET H H 51 9.258 9.258 8.353 0.905 18433 133 1 . 1 1 52 52 GLU HA H 52 3.832 3.832 3.745 0.087 18433 134 1 . 1 1 52 52 GLU CA C 52 60.499 60.499 60.255 0.243 18433 135 1 . 1 1 52 52 GLU CB C 52 29.723 29.723 29.351 0.372 18433 136 1 . 1 1 53 53 GLU N N 53 116.755 116.755 118.783 -2.028 18433 137 1 . 1 1 53 53 GLU HA H 53 4.065 4.065 4.120 -0.055 18433 138 1 . 1 1 53 53 GLU CA C 53 60.171 60.171 59.620 0.551 18433 139 1 . 1 1 53 53 GLU CB C 53 29.644 29.644 28.849 0.795 18433 140 1 . 1 1 53 53 GLU H H 53 9.834 9.834 8.669 1.165 18433 141 1 . 1 1 54 54 ASP N N 54 117.972 117.972 119.002 -1.030 18433 142 1 . 1 1 54 54 ASP HA H 54 4.998 4.998 4.351 0.647 18433 143 1 . 1 1 54 54 ASP CA C 54 58.061 58.061 57.238 0.823 18433 144 1 . 1 1 54 54 ASP CB C 54 42.266 42.266 40.565 1.701 18433 145 1 . 1 1 54 54 ASP H H 54 7.348 7.348 8.286 -0.938 18433 146 1 . 1 1 55 55 ILE N N 55 122.004 122.004 119.990 2.014 18433 147 1 . 1 1 55 55 ILE HA H 55 3.935 3.935 4.013 -0.078 18433 148 1 . 1 1 55 55 ILE CA C 55 66.531 66.531 64.707 1.824 18433 149 1 . 1 1 55 55 ILE CB C 55 38.139 38.139 38.165 -0.026 18433 150 1 . 1 1 55 55 ILE H H 55 8.081 8.081 8.061 0.020 18433 151 1 . 1 1 56 56 LEU N N 56 117.547 117.547 120.711 -3.164 18433 152 1 . 1 1 56 56 LEU HA H 56 4.150 4.150 4.155 -0.005 18433 153 1 . 1 1 56 56 LEU CA C 56 57.935 57.935 58.195 -0.259 18433 154 1 . 1 1 56 56 LEU CB C 56 40.977 40.977 41.233 -0.256 18433 155 1 . 1 1 56 56 LEU H H 56 8.770 8.770 8.097 0.673 18433 156 1 . 1 1 57 57 GLN N N 57 119.917 119.917 117.312 2.605 18433 157 1 . 1 1 57 57 GLN HA H 57 4.066 4.066 4.025 0.041 18433 158 1 . 1 1 57 57 GLN CA C 57 60.371 60.371 58.875 1.496 18433 159 1 . 1 1 57 57 GLN CB C 57 27.940 27.940 28.274 -0.333 18433 160 1 . 1 1 57 57 GLN H H 57 7.734 7.734 7.856 -0.122 18433 161 1 . 1 1 58 58 VAL N N 58 122.347 122.347 118.283 4.064 18433 162 1 . 1 1 58 58 VAL HA H 58 3.615 3.615 3.826 -0.211 18433 163 1 . 1 1 58 58 VAL CA C 58 67.230 67.230 65.494 1.736 18433 164 1 . 1 1 58 58 VAL CB C 58 31.272 31.272 31.269 0.003 18433 165 1 . 1 1 58 58 VAL H H 58 7.727 7.727 7.642 0.085 18433 166 1 . 1 1 59 59 VAL N N 59 121.131 121.131 121.479 -0.348 18433 167 1 . 1 1 59 59 VAL HA H 59 3.406 3.406 3.679 -0.273 18433 168 1 . 1 1 59 59 VAL CA C 59 68.048 68.048 66.741 1.307 18433 169 1 . 1 1 59 59 VAL CB C 59 31.542 31.542 31.266 0.276 18433 170 1 . 1 1 59 59 VAL H H 59 8.341 8.341 7.684 0.657 18433 171 1 . 1 1 60 60 ARG N N 60 120.942 120.942 118.199 2.743 18433 172 1 . 1 1 60 60 ARG HA H 60 4.115 4.115 4.152 -0.037 18433 173 1 . 1 1 60 60 ARG CA C 60 58.413 58.413 58.388 0.025 18433 174 1 . 1 1 60 60 ARG CB C 60 29.741 29.741 29.503 0.238 18433 175 1 . 1 1 60 60 ARG H H 60 8.457 8.457 7.928 0.529 18433 176 1 . 1 1 61 61 TYR N N 61 120.718 120.718 121.680 -0.962 18433 177 1 . 1 1 61 61 TYR HA H 61 4.566 4.566 4.319 0.247 18433 178 1 . 1 1 61 61 TYR CA C 61 60.754 60.754 61.529 -0.775 18433 179 1 . 1 1 61 61 TYR CB C 61 38.353 38.353 38.612 -0.259 18433 180 1 . 1 1 61 61 TYR H H 61 7.833 7.833 7.485 0.348 18433 181 1 . 1 1 62 62 CYS N N 62 114.924 114.924 117.573 -2.649 18433 182 1 . 1 1 62 62 CYS HA H 62 3.673 3.673 3.939 -0.266 18433 183 1 . 1 1 62 62 CYS CA C 62 64.281 64.281 63.685 0.596 18433 184 1 . 1 1 62 62 CYS CB C 62 27.717 27.717 27.959 -0.242 18433 185 1 . 1 1 62 62 CYS H H 62 8.079 8.079 8.367 -0.288 18433 186 1 . 1 1 63 63 THR N N 63 114.103 114.103 113.625 0.478 18433 187 1 . 1 1 63 63 THR HA H 63 3.852 3.852 3.998 -0.146 18433 188 1 . 1 1 63 63 THR CA C 63 66.871 66.871 66.085 0.786 18433 189 1 . 1 1 63 63 THR CB C 63 67.762 67.762 68.113 -0.351 18433 190 1 . 1 1 63 63 THR H H 63 8.721 8.721 8.537 0.184 18433 191 1 . 1 1 64 64 ASP N N 64 126.664 126.664 121.497 5.167 18433 192 1 . 1 1 64 64 ASP HA H 64 4.421 4.421 4.541 -0.120 18433 193 1 . 1 1 64 64 ASP CA C 64 57.784 57.784 56.879 0.905 18433 194 1 . 1 1 64 64 ASP CB C 64 39.241 39.241 40.239 -0.998 18433 195 1 . 1 1 64 64 ASP H H 64 8.771 8.771 7.451 1.320 18433 196 1 . 1 1 65 65 LEU N N 65 119.722 119.722 120.924 -1.202 18433 197 1 . 1 1 65 65 LEU HA H 65 3.872 3.872 3.956 -0.084 18433 198 1 . 1 1 65 65 LEU CA C 65 58.251 58.251 57.916 0.335 18433 199 1 . 1 1 65 65 LEU CB C 65 41.490 41.490 41.581 -0.091 18433 200 1 . 1 1 65 65 LEU H H 65 7.850 7.850 7.453 0.397 18433 201 1 . 1 1 66 66 ILE N N 66 119.189 119.189 119.224 -0.035 18433 202 1 . 1 1 66 66 ILE HA H 66 3.398 3.398 3.870 -0.472 18433 203 1 . 1 1 66 66 ILE CA C 66 66.198 66.198 65.816 0.382 18433 204 1 . 1 1 66 66 ILE CB C 66 37.730 37.730 37.959 -0.229 18433 205 1 . 1 1 66 66 ILE H H 66 7.636 7.636 7.442 0.194 18433 206 1 . 1 1 67 67 GLU N N 67 123.166 123.166 118.079 5.087 18433 207 1 . 1 1 67 67 GLU HA H 67 3.995 3.995 4.083 -0.088 18433 208 1 . 1 1 67 67 GLU CA C 67 59.595 59.595 58.528 1.067 18433 209 1 . 1 1 67 67 GLU CB C 67 29.183 29.183 29.235 -0.052 18433 210 1 . 1 1 67 67 GLU H H 67 8.512 8.512 7.806 0.706 18433 211 1 . 1 1 68 68 GLU N N 68 116.524 116.524 116.959 -0.435 18433 212 1 . 1 1 68 68 GLU HA H 68 4.295 4.295 4.294 0.001 18433 213 1 . 1 1 68 68 GLU CA C 68 55.778 55.778 56.276 -0.498 18433 214 1 . 1 1 68 68 GLU CB C 68 29.535 29.535 29.978 -0.443 18433 215 1 . 1 1 68 68 GLU H H 68 7.633 7.633 8.106 -0.473 18433 216 1 . 1 1 69 69 LYS N N 69 116.625 116.625 115.323 1.302 18433 217 1 . 1 1 69 69 LYS HA H 69 3.645 3.645 4.114 -0.469 18433 218 1 . 1 1 69 69 LYS CA C 69 57.369 57.369 57.002 0.367 18433 219 1 . 1 1 69 69 LYS CB C 69 29.800 29.800 29.449 0.351 18433 220 1 . 1 1 69 69 LYS H H 69 8.066 8.066 7.834 0.232 18433 221 1 . 1 1 70 70 ASP N N 70 122.727 122.727 118.699 4.028 18433 222 1 . 1 1 70 70 ASP HA H 70 5.040 5.040 4.885 0.155 18433 223 1 . 1 1 70 70 ASP CA C 70 51.396 51.396 53.333 -1.937 18433 224 1 . 1 1 70 70 ASP CB C 70 38.761 38.761 41.126 -2.365 18433 225 1 . 1 1 70 70 ASP H H 70 8.483 8.483 8.513 -0.030 18433 226 1 . 1 1 71 71 LEU N N 71 119.712 119.712 120.264 -0.552 18433 227 1 . 1 1 71 71 LEU HA H 71 3.881 3.881 3.823 0.058 18433 228 1 . 1 1 71 71 LEU CA C 71 56.512 56.512 57.560 -1.047 18433 229 1 . 1 1 71 71 LEU CB C 71 40.247 40.247 41.162 -0.915 18433 230 1 . 1 1 71 71 LEU H H 71 7.515 7.515 8.211 -0.696 18433 231 1 . 1 1 72 72 GLU N N 72 121.320 121.320 119.827 1.493 18433 232 1 . 1 1 72 72 GLU HA H 72 4.048 4.048 3.865 0.183 18433 233 1 . 1 1 72 72 GLU CA C 72 59.506 59.506 59.480 0.026 18433 234 1 . 1 1 72 72 GLU CB C 72 29.319 29.319 29.243 0.076 18433 235 1 . 1 1 72 72 GLU H H 72 8.561 8.561 8.575 -0.014 18433 236 1 . 1 1 73 73 LYS N N 73 119.338 119.338 117.878 1.460 18433 237 1 . 1 1 73 73 LYS HA H 73 3.737 3.737 3.931 -0.194 18433 238 1 . 1 1 73 73 LYS CA C 73 59.508 59.508 58.253 1.255 18433 239 1 . 1 1 73 73 LYS CB C 73 32.369 32.369 32.231 0.138 18433 240 1 . 1 1 73 73 LYS H H 73 7.448 7.448 7.584 -0.136 18433 241 1 . 1 1 74 74 LEU N N 74 117.830 117.830 123.809 -5.979 18433 242 1 . 1 1 74 74 LEU HA H 74 3.880 3.880 4.021 -0.141 18433 243 1 . 1 1 74 74 LEU CA C 74 57.942 57.942 58.688 -0.746 18433 244 1 . 1 1 74 74 LEU CB C 74 41.496 41.496 41.801 -0.305 18433 245 1 . 1 1 74 74 LEU H H 74 7.516 7.516 7.456 0.060 18433 246 1 . 1 1 75 75 ASP N N 75 117.736 117.736 118.715 -0.979 18433 247 1 . 1 1 75 75 ASP HA H 75 4.242 4.242 4.416 -0.174 18433 248 1 . 1 1 75 75 ASP CA C 75 57.852 57.852 57.803 0.049 18433 249 1 . 1 1 75 75 ASP CB C 75 42.323 42.323 40.642 1.681 18433 250 1 . 1 1 75 75 ASP H H 75 7.828 7.828 7.952 -0.124 18433 251 1 . 1 1 76 76 LEU N N 76 116.254 116.254 119.976 -3.722 18433 252 1 . 1 1 76 76 LEU HA H 76 3.910 3.910 4.180 -0.270 18433 253 1 . 1 1 76 76 LEU CA C 76 57.957 57.957 57.720 0.237 18433 254 1 . 1 1 76 76 LEU CB C 76 41.827 41.827 41.990 -0.163 18433 255 1 . 1 1 76 76 LEU H H 76 7.454 7.454 7.309 0.145 18433 256 1 . 1 1 77 77 VAL N N 77 120.653 120.653 119.215 1.438 18433 257 1 . 1 1 77 77 VAL HA H 77 3.964 3.964 3.860 0.104 18433 258 1 . 1 1 77 77 VAL CA C 77 66.879 66.879 66.519 0.360 18433 259 1 . 1 1 77 77 VAL CB C 77 32.019 32.019 31.465 0.554 18433 260 1 . 1 1 77 77 VAL H H 77 8.626 8.626 8.567 0.058 18433 261 1 . 1 1 78 78 ILE N N 78 122.189 122.189 120.651 1.538 18433 262 1 . 1 1 78 78 ILE HA H 78 3.986 3.986 3.987 -0.001 18433 263 1 . 1 1 78 78 ILE CA C 78 63.840 63.840 64.599 -0.759 18433 264 1 . 1 1 78 78 ILE CB C 78 35.672 35.672 36.999 -1.327 18433 265 1 . 1 1 78 78 ILE H H 78 8.755 8.755 8.944 -0.189 18433 266 1 . 1 1 79 79 LYS N N 79 119.030 119.030 120.161 -1.131 18433 267 1 . 1 1 79 79 LYS HA H 79 3.881 3.881 3.990 -0.109 18433 268 1 . 1 1 79 79 LYS CA C 79 60.438 60.438 58.968 1.470 18433 269 1 . 1 1 79 79 LYS CB C 79 32.622 32.622 31.613 1.009 18433 270 1 . 1 1 79 79 LYS H H 79 8.413 8.413 7.941 0.472 18433 271 1 . 1 1 80 80 TYR N N 80 121.226 121.226 121.488 -0.262 18433 272 1 . 1 1 80 80 TYR HA H 80 4.308 4.308 4.215 0.093 18433 273 1 . 1 1 80 80 TYR CA C 80 62.004 62.004 61.417 0.587 18433 274 1 . 1 1 80 80 TYR CB C 80 39.011 39.011 39.233 -0.222 18433 275 1 . 1 1 80 80 TYR H H 80 8.205 8.205 7.825 0.380 18433 276 1 . 1 1 81 81 MET N N 81 116.428 116.428 117.299 -0.871 18433 277 1 . 1 1 81 81 MET HA H 81 3.711 3.711 4.106 -0.395 18433 278 1 . 1 1 81 81 MET CA C 81 60.733 60.733 59.002 1.731 18433 279 1 . 1 1 81 81 MET CB C 81 33.894 33.894 32.785 1.109 18433 280 1 . 1 1 81 81 MET H H 81 8.578 8.578 8.631 -0.053 18433 281 1 . 1 1 82 82 LYS N N 82 119.778 119.778 119.809 -0.031 18433 282 1 . 1 1 82 82 LYS HA H 82 2.693 2.693 3.380 -0.687 18433 283 1 . 1 1 82 82 LYS CA C 82 59.983 59.983 59.101 0.882 18433 284 1 . 1 1 82 82 LYS CB C 82 32.791 32.791 31.395 1.396 18433 285 1 . 1 1 82 82 LYS H H 82 8.594 8.594 8.276 0.318 18433 286 1 . 1 1 83 83 ARG N N 83 116.474 116.474 118.894 -2.420 18433 287 1 . 1 1 83 83 ARG HA H 83 3.854 3.854 4.010 -0.155 18433 288 1 . 1 1 83 83 ARG CA C 83 58.481 58.481 58.647 -0.166 18433 289 1 . 1 1 83 83 ARG CB C 83 29.602 29.602 29.521 0.081 18433 290 1 . 1 1 83 83 ARG H H 83 7.145 7.145 7.455 -0.310 18433 291 1 . 1 1 84 84 LEU N N 84 116.576 116.576 120.829 -4.253 18433 292 1 . 1 1 84 84 LEU HA H 84 3.828 3.828 3.926 -0.098 18433 293 1 . 1 1 84 84 LEU CA C 84 56.934 56.934 57.088 -0.154 18433 294 1 . 1 1 84 84 LEU CB C 84 43.039 43.039 41.906 1.133 18433 295 1 . 1 1 84 84 LEU H H 84 7.284 7.284 7.059 0.225 18433 296 1 . 1 1 85 85 MET N N 85 115.841 115.841 115.448 0.393 18433 297 1 . 1 1 85 85 MET HA H 85 3.756 3.756 3.679 0.077 18433 298 1 . 1 1 85 85 MET CA C 85 59.260 59.260 58.371 0.889 18433 299 1 . 1 1 85 85 MET CB C 85 32.487 32.487 32.424 0.063 18433 300 1 . 1 1 85 85 MET H H 85 8.683 8.683 7.935 0.748 18433 301 1 . 1 1 86 86 GLN N N 86 114.640 114.640 114.590 0.050 18433 302 1 . 1 1 86 86 GLN HA H 86 4.361 4.361 4.163 0.198 18433 303 1 . 1 1 86 86 GLN CA C 86 56.857 56.857 57.704 -0.847 18433 304 1 . 1 1 86 86 GLN CB C 86 27.630 27.630 29.346 -1.716 18433 305 1 . 1 1 86 86 GLN H H 86 7.513 7.513 7.735 -0.222 18433 306 1 . 1 1 87 87 GLN N N 87 117.352 117.352 116.891 0.461 18433 307 1 . 1 1 87 87 GLN HA H 87 4.222 4.222 4.198 0.024 18433 308 1 . 1 1 87 87 GLN CA C 87 56.334 56.334 56.319 0.014 18433 309 1 . 1 1 87 87 GLN CB C 87 29.139 29.139 28.809 0.330 18433 310 1 . 1 1 87 87 GLN H H 87 7.277 7.277 7.531 -0.254 18433 311 1 . 1 1 88 88 SER N N 88 113.778 113.778 116.289 -2.511 18433 312 1 . 1 1 88 88 SER HA H 88 4.431 4.431 4.262 0.169 18433 313 1 . 1 1 88 88 SER CA C 88 58.372 58.372 59.225 -0.853 18433 314 1 . 1 1 88 88 SER CB C 88 63.525 63.525 63.854 -0.328 18433 315 1 . 1 1 88 88 SER H H 88 7.482 7.482 7.579 -0.097 18433 316 1 . 1 1 89 89 VAL N N 89 120.934 120.934 118.508 2.426 18433 317 1 . 1 1 89 89 VAL HA H 89 4.163 4.163 4.126 0.037 18433 318 1 . 1 1 89 89 VAL CA C 89 62.661 62.661 63.492 -0.831 18433 319 1 . 1 1 89 89 VAL CB C 89 31.972 31.972 32.443 -0.471 18433 320 1 . 1 1 89 89 VAL H H 89 8.188 8.188 8.534 -0.346 18433 321 1 . 1 1 90 90 GLU N N 90 120.714 120.714 120.089 0.625 18433 322 1 . 1 1 90 90 GLU HA H 90 4.441 4.441 4.486 -0.045 18433 323 1 . 1 1 90 90 GLU CA C 90 55.945 55.945 55.817 0.128 18433 324 1 . 1 1 90 90 GLU CB C 90 29.607 29.607 29.806 -0.199 18433 325 1 . 1 1 90 90 GLU H H 90 8.411 8.411 8.125 0.286 18433 326 1 . 1 1 91 91 SER HA H 91 4.451 4.451 4.275 0.176 18433 327 1 . 1 1 91 91 SER CA C 91 59.681 59.681 60.923 -1.242 18433 328 1 . 1 1 91 91 SER CB C 91 63.893 63.893 63.236 0.657 18433 329 1 . 1 1 92 92 VAL HA H 92 4.012 4.012 3.738 0.274 18433 330 1 . 1 1 92 92 VAL CA C 92 64.738 64.738 64.904 -0.166 18433 331 1 . 1 1 92 92 VAL CB C 92 31.013 31.013 31.140 -0.127 18433 332 1 . 1 1 93 93 TRP N N 93 121.614 121.614 119.451 2.163 18433 333 1 . 1 1 93 93 TRP HA H 93 4.499 4.499 4.295 0.204 18433 334 1 . 1 1 93 93 TRP CA C 93 59.676 59.676 60.575 -0.899 18433 335 1 . 1 1 93 93 TRP CB C 93 29.857 29.857 29.275 0.582 18433 336 1 . 1 1 93 93 TRP H H 93 7.551 7.551 7.565 -0.014 18433 337 1 . 1 1 94 94 ASN N N 94 119.013 119.013 117.149 1.864 18433 338 1 . 1 1 94 94 ASN HA H 94 4.395 4.395 4.461 -0.066 18433 339 1 . 1 1 94 94 ASN CA C 94 57.238 57.238 56.845 0.393 18433 340 1 . 1 1 94 94 ASN CB C 94 38.747 38.747 38.499 0.248 18433 341 1 . 1 1 94 94 ASN H H 94 7.794 7.794 8.119 -0.325 18433 342 1 . 1 1 95 95 MET N N 95 117.158 117.158 118.399 -1.241 18433 343 1 . 1 1 95 95 MET HA H 95 4.346 4.346 4.376 -0.030 18433 344 1 . 1 1 95 95 MET CA C 95 58.445 58.445 58.593 -0.148 18433 345 1 . 1 1 95 95 MET CB C 95 32.436 32.436 32.476 -0.040 18433 346 1 . 1 1 95 95 MET H H 95 7.751 7.751 7.531 0.220 18433 347 1 . 1 1 96 96 ALA N N 96 123.406 123.406 123.256 0.150 18433 348 1 . 1 1 96 96 ALA HA H 96 4.207 4.207 4.120 0.087 18433 349 1 . 1 1 96 96 ALA CA C 96 55.445 55.445 55.318 0.127 18433 350 1 . 1 1 96 96 ALA CB C 96 17.505 17.505 18.170 -0.665 18433 351 1 . 1 1 96 96 ALA H H 96 7.920 7.920 7.762 0.158 18433 352 1 . 1 1 97 97 PHE N N 97 117.830 117.830 119.135 -1.305 18433 353 1 . 1 1 97 97 PHE HA H 97 4.204 4.204 4.324 -0.120 18433 354 1 . 1 1 97 97 PHE CA C 97 62.853 62.853 60.680 2.173 18433 355 1 . 1 1 97 97 PHE CB C 97 38.147 38.147 39.059 -0.912 18433 356 1 . 1 1 97 97 PHE H H 97 8.431 8.431 8.111 0.320 18433 357 1 . 1 1 98 98 ASP N N 98 118.570 118.570 119.855 -1.285 18433 358 1 . 1 1 98 98 ASP HA H 98 4.248 4.248 4.083 0.165 18433 359 1 . 1 1 98 98 ASP CA C 98 57.702 57.702 57.165 0.537 18433 360 1 . 1 1 98 98 ASP CB C 98 40.400 40.400 40.706 -0.306 18433 361 1 . 1 1 98 98 ASP H H 98 7.805 7.805 7.800 0.005 18433 362 1 . 1 1 99 99 PHE N N 99 119.874 119.874 120.905 -1.031 18433 363 1 . 1 1 99 99 PHE HA H 99 4.294 4.294 4.145 0.149 18433 364 1 . 1 1 99 99 PHE CA C 99 61.183 61.183 61.604 -0.421 18433 365 1 . 1 1 99 99 PHE CB C 99 39.482 39.482 39.236 0.246 18433 366 1 . 1 1 99 99 PHE H H 99 7.920 7.920 8.085 -0.165 18433 367 1 . 1 1 100 100 ILE N N 100 122.589 122.589 119.221 3.368 18433 368 1 . 1 1 100 100 ILE HA H 100 3.403 3.403 3.489 -0.086 18433 369 1 . 1 1 100 100 ILE CA C 100 66.097 66.097 65.571 0.526 18433 370 1 . 1 1 100 100 ILE CB C 100 38.692 38.692 37.974 0.717 18433 371 1 . 1 1 100 100 ILE H H 100 8.573 8.573 7.860 0.713 18433 372 1 . 1 1 101 101 LEU N N 101 119.531 119.531 120.311 -0.780 18433 373 1 . 1 1 101 101 LEU HA H 101 3.714 3.714 3.786 -0.072 18433 374 1 . 1 1 101 101 LEU CA C 101 57.998 57.998 58.009 -0.011 18433 375 1 . 1 1 101 101 LEU CB C 101 40.707 40.707 41.237 -0.530 18433 376 1 . 1 1 101 101 LEU H H 101 8.716 8.716 7.603 1.113 18433 377 1 . 1 1 102 102 ASP N N 102 118.371 118.371 118.729 -0.358 18433 378 1 . 1 1 102 102 ASP HA H 102 4.251 4.251 4.335 -0.084 18433 379 1 . 1 1 102 102 ASP CA C 102 57.493 57.493 56.794 0.699 18433 380 1 . 1 1 102 102 ASP CB C 102 40.779 40.779 40.673 0.106 18433 381 1 . 1 1 102 102 ASP H H 102 8.343 8.343 8.314 0.029 18433 382 1 . 1 1 103 103 ASN N N 103 115.409 115.409 116.121 -0.713 18433 383 1 . 1 1 103 103 ASN HA H 103 4.133 4.133 4.630 -0.496 18433 384 1 . 1 1 103 103 ASN CA C 103 57.079 57.079 55.050 2.029 18433 385 1 . 1 1 103 103 ASN CB C 103 39.990 39.990 40.233 -0.243 18433 386 1 . 1 1 103 103 ASN H H 103 7.393 7.393 7.292 0.101 18433 387 1 . 1 1 104 104 VAL N N 104 119.972 119.972 122.211 -2.239 18433 388 1 . 1 1 104 104 VAL HA H 104 3.417 3.417 3.689 -0.272 18433 389 1 . 1 1 104 104 VAL CA C 104 66.949 66.949 67.049 -0.100 18433 390 1 . 1 1 104 104 VAL CB C 104 31.822 31.822 31.723 0.099 18433 391 1 . 1 1 104 104 VAL H H 104 8.299 8.299 8.552 -0.253 18433 392 1 . 1 1 105 105 GLN N N 105 118.449 118.449 117.968 0.481 18433 393 1 . 1 1 105 105 GLN HA H 105 4.394 4.394 3.970 0.424 18433 394 1 . 1 1 105 105 GLN CA C 105 59.020 59.020 58.785 0.235 18433 395 1 . 1 1 105 105 GLN CB C 105 28.590 28.590 27.892 0.698 18433 396 1 . 1 1 105 105 GLN H H 105 8.763 8.763 8.065 0.698 18433 397 1 . 1 1 106 106 VAL N N 106 118.643 118.643 119.832 -1.189 18433 398 1 . 1 1 106 106 VAL HA H 106 3.714 3.714 3.756 -0.042 18433 399 1 . 1 1 106 106 VAL CA C 106 66.408 66.408 66.217 0.191 18433 400 1 . 1 1 106 106 VAL CB C 106 31.697 31.697 31.487 0.210 18433 401 1 . 1 1 106 106 VAL H H 106 7.607 7.607 7.613 -0.006 18433 402 1 . 1 1 107 107 VAL N N 107 120.205 120.205 119.803 0.402 18433 403 1 . 1 1 107 107 VAL HA H 107 3.729 3.729 3.734 -0.005 18433 404 1 . 1 1 107 107 VAL CA C 107 66.373 66.373 65.607 0.766 18433 405 1 . 1 1 107 107 VAL CB C 107 31.318 31.318 31.740 -0.422 18433 406 1 . 1 1 107 107 VAL H H 107 7.329 7.329 7.336 -0.007 18433 407 1 . 1 1 108 108 LEU N N 108 123.706 123.706 119.239 4.466 18433 408 1 . 1 1 108 108 LEU HA H 108 4.023 4.023 4.257 -0.234 18433 409 1 . 1 1 108 108 LEU CA C 108 58.902 58.902 58.027 0.875 18433 410 1 . 1 1 108 108 LEU CB C 108 41.975 41.975 41.551 0.424 18433 411 1 . 1 1 108 108 LEU H H 108 8.742 8.742 8.329 0.413 18433 412 1 . 1 1 109 109 GLN N N 109 119.622 119.622 118.969 0.653 18433 413 1 . 1 1 109 109 GLN HA H 109 3.981 3.981 4.142 -0.161 18433 414 1 . 1 1 109 109 GLN CA C 109 59.066 59.066 58.850 0.216 18433 415 1 . 1 1 109 109 GLN CB C 109 28.267 28.267 28.742 -0.475 18433 416 1 . 1 1 109 109 GLN H H 109 8.456 8.456 7.886 0.570 18433 417 1 . 1 1 110 110 GLN N N 110 117.492 117.492 117.288 0.204 18433 418 1 . 1 1 110 110 GLN HA H 110 4.074 4.074 4.078 -0.004 18433 419 1 . 1 1 110 110 GLN CA C 110 58.076 58.076 58.184 -0.108 18433 420 1 . 1 1 110 110 GLN CB C 110 28.692 28.692 28.582 0.110 18433 421 1 . 1 1 110 110 GLN H H 110 8.060 8.060 7.867 0.193 18433 422 1 . 1 1 111 111 THR N N 111 112.944 112.944 113.940 -0.996 18433 423 1 . 1 1 111 111 THR HA H 111 4.017 4.017 4.053 -0.036 18433 424 1 . 1 1 111 111 THR CA C 111 65.020 65.020 64.688 0.332 18433 425 1 . 1 1 111 111 THR CB C 111 69.543 69.543 69.533 0.010 18433 426 1 . 1 1 111 111 THR H H 111 7.934 7.934 7.457 0.477 18433 427 1 . 1 1 112 112 TYR N N 112 118.273 118.273 117.686 0.587 18433 428 1 . 1 1 112 112 TYR HA H 112 4.697 4.697 4.558 0.139 18433 429 1 . 1 1 112 112 TYR CA C 112 58.420 58.420 58.560 -0.140 18433 430 1 . 1 1 112 112 TYR CB C 112 40.341 40.341 39.977 0.364 18433 431 1 . 1 1 112 112 TYR H H 112 8.404 8.404 8.205 0.199 18433 432 1 . 1 1 113 113 GLY N N 113 109.593 109.593 105.725 3.868 18433 433 1 . 1 1 113 113 GLY CA C 113 46.009 46.009 45.103 0.906 18433 434 1 . 1 1 113 113 GLY H H 113 7.990 7.990 7.900 0.090 18433 435 1 . 1 1 114 114 SER N N 114 113.965 113.965 115.291 -1.326 18433 436 1 . 1 1 114 114 SER HA H 114 4.630 4.630 4.645 -0.015 18433 437 1 . 1 1 114 114 SER CA C 114 57.356 57.356 57.415 -0.059 18433 438 1 . 1 1 114 114 SER CB C 114 64.543 64.543 64.301 0.242 18433 439 1 . 1 1 114 114 SER H H 114 7.636 7.636 7.973 -0.337 18433 440 1 . 1 1 115 115 THR N N 115 110.456 110.456 110.198 0.258 18433 441 1 . 1 1 115 115 THR HA H 115 4.406 4.406 4.611 -0.205 18433 442 1 . 1 1 115 115 THR CA C 115 61.125 61.125 60.793 0.332 18433 443 1 . 1 1 115 115 THR CB C 115 70.288 70.288 71.046 -0.758 18433 444 1 . 1 1 115 115 THR H H 115 7.828 7.828 7.938 -0.110 18433 445 1 . 1 1 116 116 LEU N N 116 123.832 123.832 121.900 1.932 18433 446 1 . 1 1 116 116 LEU HA H 116 4.306 4.306 4.506 -0.200 18433 447 1 . 1 1 116 116 LEU CA C 116 54.883 54.883 54.529 0.353 18433 448 1 . 1 1 116 116 LEU CB C 116 42.795 42.795 43.791 -0.996 18433 449 1 . 1 1 116 116 LEU H H 116 8.741 8.741 8.433 0.308 18433 450 1 . 1 1 117 117 LYS N N 117 124.713 124.713 124.494 0.219 18433 451 1 . 1 1 117 117 LYS HA H 117 4.413 4.413 4.426 -0.013 18433 452 1 . 1 1 117 117 LYS CA C 117 55.551 55.551 55.847 -0.296 18433 453 1 . 1 1 117 117 LYS CB C 117 32.551 32.551 31.369 1.182 18433 454 1 . 1 1 117 117 LYS H H 117 8.479 8.479 8.590 -0.111 18433 455 1 . 1 1 118 118 VAL N N 118 122.419 122.419 122.975 -0.556 18433 456 1 . 1 1 118 118 VAL HA H 118 4.242 4.242 4.628 -0.386 18433 457 1 . 1 1 118 118 VAL CA C 118 61.955 61.955 61.215 0.740 18433 458 1 . 1 1 118 118 VAL CB C 118 32.837 32.837 31.961 0.876 18433 459 1 . 1 1 118 118 VAL H H 118 8.268 8.268 8.423 -0.155 18433 stop_ save_